data_2dzq_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 2dzq _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 27.0 mt -61.4 -45.3 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 22.6 mtm180 -38.1 -58.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -55.35 -48.5 74.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.09 -54.11 50.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 84.6 t -49.72 -57.15 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 34.9 tp -57.09 -46.34 82.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -55.62 -64.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -51.92 -56.81 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m120 -53.43 -55.71 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -50.71 -50.3 55.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -55.63 -47.88 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' ALA . 26.5 t80 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.6 -50.27 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.98 -28.24 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -75.47 -16.45 60.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -118.2 3.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.34 29.79 65.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mt -100.86 149.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -39.06 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.9 pt-20 -86.68 165.68 31.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.0 Cg_endo -75.0 138.93 23.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.1 t -124.87 165.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 4.3 mtmp? -68.99 149.83 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 34' ' ' TYR . 3.4 t -114.52 116.01 44.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.483 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.5 Cg_endo -74.98 70.98 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' HG11 ' A' ' 32' ' ' VAL . 20.5 m-85 -37.32 -59.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.5 p -40.73 -56.28 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 10.0 mmtt -47.51 -42.8 23.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.5 m-85 -78.64 -22.88 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.4 mt -79.07 -57.53 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.4 mtm -68.41 -22.84 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.452 ' CG ' ' CD1' ' A' ' 85' ' ' LEU . 20.0 m-70 -130.36 68.9 81.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.7 14.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -27.98 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -92.15 -54.51 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 86' ' ' LEU . 2.1 mt -113.28 118.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.9 p90 -149.76 -179.87 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' A' ' 55' ' ' LEU . 83.1 t -125.79 139.58 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' GLN . 17.2 m -119.69 153.75 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.8 -26.26 25.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 76' ' ' ILE . 37.8 mt -41.23 154.92 0.22 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -173.07 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -81.94 141.6 33.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.5 29.72 75.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.87 142.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.94 -151.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 27.7 tp -100.76 118.61 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt180 -168.3 168.29 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -51.63 135.29 34.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.79 3.46 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.432 1.753 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -146.04 -46.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.31 -29.4 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 85.4 m-85 -73.37 169.11 17.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -105.38 153.97 17.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.05 -57.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.12 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -60.8 -58.56 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 85.9 mt -40.09 -51.94 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' GLU . 95.2 mtt-85 -55.76 -57.55 11.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -40.33 -59.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.472 HG23 ' CD1' ' A' ' 76' ' ' ILE . 22.7 mt -50.48 -51.67 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.7 mt -57.41 -33.04 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.6 mt-10 -76.19 -25.64 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.59 27.77 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.465 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.91 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.004 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -47.63 -39.73 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.7 m -71.27 -47.39 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 69' ' ' ILE . 7.8 mt -47.04 153.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.2 tt0 -170.41 130.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -91.7 99.07 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.3 t -85.66 130.74 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.3 mm -108.89 131.03 60.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 -42.5 3.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -136.92 93.82 13.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.85 20.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.73 -23.76 60.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.452 ' CD1' ' CG ' ' A' ' 40' ' ' HIS . 82.3 mt -68.53 -45.38 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 44' ' ' LEU . 27.9 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 33.1 mt -58.04 -45.89 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -39.01 -58.72 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.3 -44.66 72.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.97 -60.0 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 97.1 t -44.15 -56.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -41.31 -52.1 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.6 tp -58.02 -45.3 87.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 33.6 tp -56.22 -60.32 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.17 -52.8 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -55.54 -44.73 77.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 19.4 m -61.9 -61.98 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -44.48 -45.17 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.4 t80 -52.0 -44.76 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.31 -49.92 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -58.33 -29.54 66.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.57 -13.17 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.1 pt -122.13 3.95 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.46 28.63 67.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -101.5 146.75 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 -38.84 16.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 4.4 pt-20 -85.94 166.01 31.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.4 Cg_endo -75.03 139.61 24.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.1 t -126.49 165.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.9 mtmp? -66.22 145.33 55.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.565 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -109.55 115.83 55.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.96 63.99 5.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.9 m-85 -36.49 -62.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.7 m -39.0 -54.51 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.3 mmmt -48.63 -46.18 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CB ' HD21 ' A' ' 55' ' ' LEU . 36.2 m-85 -73.52 -21.06 60.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.75 -56.04 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 74.7 mtm -70.24 -22.24 62.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -131.11 67.89 81.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -19.6 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 6.1 mp0 -100.94 -51.65 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' A' ' 86' ' ' LEU . 2.0 mt -116.52 114.97 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 29.4 p90 -145.24 -178.92 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 47' ' ' VAL . 92.8 t -126.42 140.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' GLN . 16.1 m -119.77 152.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.6 -25.85 26.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 76' ' ' ILE . 34.2 mt -40.85 155.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -87.05 139.15 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.07 29.73 74.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.6 mt -144.68 142.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.71 -151.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD21 ' CB ' ' A' ' 37' ' ' PHE . 33.8 tp -100.46 115.29 29.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 11.0 mtt85 -167.76 164.36 14.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.46 134.19 5.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 51.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -143.73 -46.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -56.55 -26.51 55.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 97.3 m-85 -79.33 159.67 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -96.74 156.62 21.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.83 -60.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.52 -45.91 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.81 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 79.3 mt -40.09 -50.87 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -56.4 -56.17 24.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.18 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.53 -59.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 76' ' ' ILE . 37.4 mt -50.36 -55.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.2 mt -52.87 -35.13 57.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -26.06 60.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.21 27.76 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.74 -67.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' N ' ' OG ' ' A' ' 73' ' ' SER . 65.1 m-80 -45.36 -35.86 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -72.9 -47.27 47.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 69' ' ' ILE . 11.2 mt -48.85 155.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -170.51 131.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -91.7 99.31 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.8 t -86.74 131.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.9 mm -109.05 130.87 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 -35.55 5.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -144.9 94.69 5.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -15.86 20.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.21 -25.88 64.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' LEU . 76.2 mt -67.05 -51.18 57.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 ' CD2' HD11 ' A' ' 44' ' ' LEU . 53.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.7 mt -56.59 -49.14 75.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 15.1 mtm180 -38.35 -54.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 mt-30 -62.4 -53.86 48.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 88.5 t -48.05 -53.0 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -46.8 -54.45 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' THR . 43.0 tp -55.48 -46.11 76.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 34.8 tp -54.71 -56.94 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -61.53 -56.71 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -51.81 -43.52 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 31.2 m -64.59 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.406 ' NH2' ' HA ' ' A' ' 74' ' ' ASN . 11.8 mmt180 -43.28 -44.32 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 22.9 t80 -52.94 -45.71 67.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -46.7 -49.04 20.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -58.25 -32.04 67.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -71.52 -14.96 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.458 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 19.8 pt -120.37 4.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.06 31.47 69.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mt -101.83 150.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.25 -35.26 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -90.14 164.08 29.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 136.38 20.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.2 t -122.59 165.35 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.597 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.8 mtmt -65.9 147.11 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -111.0 115.91 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.02 66.1 6.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.527 ' CD1' HG13 ' A' ' 32' ' ' VAL . 21.1 m-85 -36.29 -57.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -42.48 -56.43 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 15.7 mmtt -46.87 -43.81 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.489 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.2 m-85 -76.75 -23.54 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.7 mt -78.84 -56.97 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.8 mtm -68.96 -22.8 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.451 ' CG ' HD13 ' A' ' 85' ' ' LEU . 22.8 m-70 -130.61 68.67 81.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -35.12 27.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.41 -53.43 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 3.2 mt -111.7 118.53 35.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 33.7 p90 -148.89 -178.67 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 55' ' ' LEU . 77.9 t -128.88 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' GLN . 17.3 m -119.0 155.7 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.08 -22.13 42.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.1 mt -47.83 154.79 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -176.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.99 142.59 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.17 29.8 76.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.02 142.42 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.31 -153.01 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 32.3 tp -101.14 116.92 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 19.0 mtt85 -167.72 165.68 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.44 138.13 50.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 56.8 4.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.462 ' CG ' ' N ' ' A' ' 60' ' ' CYS . 15.8 p-10 -138.87 -46.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.462 ' N ' ' CG ' ' A' ' 59' ' ' ASN . 37.6 t -64.28 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.332 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 96.5 m-85 -69.84 160.95 30.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.54 157.13 17.65 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.22 -56.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.39 16.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -59.63 -56.98 15.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.8 mt -40.18 -50.02 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -59.43 -56.96 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.01 -65.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.406 ' CG1' HG21 ' A' ' 53' ' ' ILE . 43.1 mt -43.54 -53.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -55.69 -39.14 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -70.68 -20.76 62.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.48 25.68 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.459 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.01 -67.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' HA ' ' NH2' ' A' ' 19' ' ' ARG . 6.9 m120 -43.82 -43.16 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -64.62 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.6 mt -46.76 155.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.7 tt0 -170.31 127.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -89.26 99.46 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -85.86 130.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.5 mm -109.89 131.02 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.6 -44.95 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -135.92 94.63 14.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.91 20.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.15 -25.63 59.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.451 HD13 ' CG ' ' A' ' 40' ' ' HIS . 53.4 mt -67.6 -45.05 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 HD21 ' CG ' ' A' ' 33' ' ' PRO . 75.8 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' GLN . 33.7 mt -52.41 -48.05 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -38.26 -59.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -52.54 -42.14 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.3 mt-30 -65.22 -51.18 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 94.5 t -52.24 -51.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.57 -51.01 12.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.6 tp -58.65 -46.38 87.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 34.6 tp -55.22 -60.02 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -57.04 -56.96 14.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -52.54 -48.43 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 35.9 m -59.25 -54.54 45.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 49.0 mmt-85 -50.09 -46.09 53.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -52.06 -45.05 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -48.16 -48.74 34.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -59.67 -28.4 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.93 -17.76 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.455 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 21.4 pt -116.48 3.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 71.7 30.04 66.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mt -98.74 154.51 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.429 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 1.3 p -92.65 -35.87 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.6 mm-40 -91.06 165.65 21.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.5 21.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.9 t -124.05 165.85 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 11.7 mtmt -67.41 148.19 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -111.45 117.05 49.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.494 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 66.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.543 ' CD1' HG13 ' A' ' 32' ' ' VAL . 19.0 m-85 -35.95 -56.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 3.1 m -43.28 -56.47 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.6 mmtt -46.76 -43.02 17.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 33.7 m-85 -77.51 -24.3 50.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.4 mt -76.38 -54.02 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.2 mtm -72.02 -22.41 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.431 ' CG ' ' CD1' ' A' ' 85' ' ' LEU . 63.7 m-70 -132.16 66.38 77.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.635 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.9 20.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.27 -48.36 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.7 mm-40 -79.87 -51.04 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 5.6 mt -105.69 107.06 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.0 p90 -143.86 -178.4 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 47' ' ' VAL . 96.1 t -127.83 144.97 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 77' ' ' GLN . 14.4 m -123.7 153.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.33 -26.86 23.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 76' ' ' ILE . 27.9 mt -43.58 153.78 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 172.72 15.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.5 140.32 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.55 29.8 71.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -148.34 142.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.08 -151.14 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 41.0 tp -101.12 118.24 36.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.538 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 18.4 mtt180 -167.24 166.98 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.69 134.85 26.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.07 56.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -145.69 -47.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.1 t -58.39 -35.67 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 94.4 m-85 -65.58 164.73 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.68 155.27 17.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.62 -56.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.78 -50.99 31.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.6 mttt -59.39 -59.13 5.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 86.3 mt -39.9 -52.56 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' GLU . 6.3 mtt180 -54.36 -59.15 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -61.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.459 HG21 ' CD1' ' A' ' 76' ' ' ILE . 65.0 mt -48.6 -54.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.5 mt -55.76 -33.79 64.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.9 mt-10 -75.69 -26.8 57.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.55 24.34 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.457 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.27 -63.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -46.19 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -65.8 -45.65 81.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 69' ' ' ILE . 8.5 mt -48.1 153.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.9 tt0 -170.46 131.65 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -92.51 98.2 11.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.5 t -84.37 130.72 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.3 mm -109.1 130.92 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -115.09 -41.89 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.93 92.51 18.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.06 20.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.71 -25.57 64.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.431 ' CD1' ' CG ' ' A' ' 40' ' ' HIS . 77.0 mt -68.16 -47.07 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.5 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 23.4 mt -62.15 -46.16 90.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.32 -52.56 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -60.29 -43.18 96.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.7 mt-30 -64.23 -60.07 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 97.3 t -42.81 -59.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 11.7 mm-40 -43.59 -54.45 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.435 ' CD1' ' HG3' ' A' ' 29' ' ' PRO . 23.2 tp -55.11 -46.15 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 37.6 tp -55.65 -68.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -46.43 -53.79 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.6 -42.31 82.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 15.9 m -62.77 -55.02 30.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 20.7 mmm180 -51.22 -44.28 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.3 t80 -53.01 -44.51 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.44 24.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -59.66 -28.57 67.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.72 -18.45 60.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 21.9 pt -115.16 1.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.46 29.31 64.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.446 HD13 ' CG2' ' A' ' 30' ' ' VAL . 1.7 mt -97.44 156.65 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.418 ' N ' HG22 ' A' ' 26' ' ' ILE . 79.1 p -93.09 -38.79 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -91.12 169.7 11.11 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.435 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 142.97 28.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.0 t -130.19 165.99 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 12.6 mtmt -69.84 144.33 52.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.55 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -104.83 116.98 59.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.0 65.28 6.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.55 ' CD1' HG13 ' A' ' 32' ' ' VAL . 18.4 m-85 -36.32 -59.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.1 m -40.93 -56.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 51.3 mmtt -46.48 -44.68 17.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -76.28 -23.95 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.9 mt -75.67 -59.24 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -67.62 -23.25 65.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.429 ' CG ' HD13 ' A' ' 85' ' ' LEU . 14.5 m-70 -129.57 69.35 81.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -26.95 10.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -31.27 56.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.64 -54.07 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.41 ' CD1' HD23 ' A' ' 86' ' ' LEU . 1.5 mt -113.7 120.76 41.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 31.5 p90 -148.61 178.77 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.458 HG23 ' CD2' ' A' ' 55' ' ' LEU . 67.5 t -122.63 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' A' ' 79' ' ' VAL . 2.5 m -129.39 146.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.85 -24.0 29.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.7 mt -43.99 153.35 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 166.68 28.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.86 142.12 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.06 29.99 70.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 10.7 mt -148.14 142.16 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.93 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.458 ' CD2' HG23 ' A' ' 46' ' ' VAL . 24.3 tp -105.04 103.45 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 16.8 mtt180 -151.38 174.38 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.39 146.69 97.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 1.51 7.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.48 23.86 13.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 23.05 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 108.329 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 33.6 m-85 -128.09 179.93 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.68 162.53 13.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -68.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -40.96 -40.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 22.4 mttt -66.71 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 88.6 mt -39.97 -51.49 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LYS . 6.7 mtt-85 -55.82 -57.67 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.73 -63.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.416 HG22 ' CD1' ' A' ' 76' ' ' ILE . 57.7 mt -43.01 -54.81 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.7 mt -55.69 -47.52 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.71 -16.77 58.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.98 19.83 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.419 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 28.5 p -55.2 -56.55 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -55.08 -49.19 72.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 m -59.0 -47.27 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.416 ' CD1' HG22 ' A' ' 69' ' ' ILE . 13.7 mt -45.72 155.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -170.79 125.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 6.2 m-85 -89.53 97.25 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -83.24 130.17 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mm -110.35 130.6 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 -38.19 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -141.64 94.59 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.35 20.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -60.86 -21.13 62.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.429 HD13 ' CG ' ' A' ' 40' ' ' HIS . 91.7 mt -72.1 -43.14 65.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.41 HD23 ' CD1' ' A' ' 44' ' ' LEU . 25.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 35.9 mt -56.34 -44.53 80.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mtm105 -40.31 -56.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -55.37 -40.44 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LEU . 20.9 mt-30 -65.47 -56.41 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 97.2 t -46.2 -52.38 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.87 -57.26 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 18' ' ' THR . 24.9 tp -52.64 -46.94 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 36.4 tp -56.75 -72.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -43.08 -52.06 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m-20 -59.4 -43.15 93.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' LEU . 8.7 m -61.35 -55.5 30.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 19.7 mmm180 -50.12 -45.06 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 20.0 t80 -51.53 -46.39 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -46.84 -49.82 19.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -58.33 -30.05 66.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -73.9 -14.9 61.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 26' ' ' ILE . 22.8 pt -120.7 5.77 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.92 30.84 69.91 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 24' ' ' ILE . 2.0 mt -103.08 145.28 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.36 -38.07 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -85.01 163.15 47.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 139.31 24.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.7 t -126.58 165.83 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 11.3 mttt -67.91 145.14 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -105.59 115.12 62.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.474 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.0 63.77 6.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CD1' HG13 ' A' ' 32' ' ' VAL . 20.3 m-85 -36.23 -61.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 p -39.33 -55.0 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 24.1 mmmt -48.65 -44.52 37.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' TYR . 38.6 m-85 -76.01 -20.76 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -79.66 -56.01 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.19 -22.91 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.517 ' CG ' HD12 ' A' ' 85' ' ' LEU . 31.9 m-70 -130.52 68.69 81.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -23.9 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -96.49 -53.83 3.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 86' ' ' LEU . 2.2 mt -114.4 115.83 27.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 27.4 p90 -144.21 177.83 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 55' ' ' LEU . 46.4 t -121.5 145.07 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 79' ' ' VAL . 3.5 m -129.94 144.81 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.89 21.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -43.45 153.48 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.488 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.97 174.85 12.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.72 141.11 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.04 29.8 72.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.488 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -147.78 138.51 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.94 -150.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 46' ' ' VAL . 37.6 tp -106.4 103.5 12.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 15.1 mtt180 -153.79 156.94 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.25 141.25 1.92 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.475 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.97 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.85 -45.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 52.48 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 56' ' ' ARG . 58.7 m-85 -144.79 154.94 43.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -90.33 149.92 20.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.54 -52.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -42.95 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLY . 13.7 mttt -60.37 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 81.4 mt -40.47 -51.55 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.7 mtp180 -54.24 -60.04 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -39.14 -58.5 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.9 mt -48.93 -60.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.5 mt -51.85 -37.28 51.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.01 -29.59 67.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -99.64 13.18 34.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 86.1 p -50.59 -23.31 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -80.34 -55.9 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -59.69 -41.23 90.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 mt -45.37 148.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -170.52 125.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 19' ' ' ARG . 6.9 m-85 -87.59 99.76 12.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.483 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.1 t -86.04 130.39 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.2 mm -110.09 130.83 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.98 -37.12 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -142.81 94.69 6.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.21 -26.26 66.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 40' ' ' HIS . 33.6 mt -67.57 -49.89 61.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' CD2' HD13 ' A' ' 44' ' ' LEU . 52.0 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 21.7 mt -62.34 -47.1 85.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.1 mtm105 -37.82 -58.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.06 -48.95 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.7 -53.64 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 95.8 t -51.31 -60.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.49 -50.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 18' ' ' THR . 29.7 tp -58.49 -47.12 85.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 32.7 tp -54.81 -61.69 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -55.72 -57.2 12.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -52.05 -47.07 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 25.2 m -60.41 -56.91 15.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -49.07 -45.15 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 24.0 t80 -52.29 -45.47 65.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.14 -50.14 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -59.23 -28.46 66.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -75.12 -13.13 60.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.444 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.0 pt -121.1 -0.85 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 77.61 27.71 58.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mt -99.77 150.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.98 -39.04 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -86.8 166.0 29.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.03 23.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 54.4 t -125.48 166.03 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.8 mtmp? -66.44 147.58 53.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.554 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -111.63 115.1 51.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.01 66.2 6.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD1' HG13 ' A' ' 32' ' ' VAL . 19.7 m-85 -35.61 -56.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.67 -55.73 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.5 mmtt -48.27 -42.33 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' CB ' HD21 ' A' ' 55' ' ' LEU . 32.0 m-85 -78.4 -22.78 47.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.3 mt -78.83 -57.44 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.82 -22.86 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.412 ' ND1' HD11 ' A' ' 85' ' ' LEU . 41.5 m-70 -129.86 69.26 81.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -15.2 21.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.2 -38.77 16.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.7 mp0 -83.17 -54.38 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' CD1' HD23 ' A' ' 86' ' ' LEU . 1.7 mt -111.74 117.67 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.9 p90 -149.05 179.5 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 55' ' ' LEU . 79.8 t -123.33 140.29 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.98 149.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 103.86 -27.54 19.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' GLY . 17.3 mt -40.51 154.5 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.08 178.08 7.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 140.57 43.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.65 73.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.0 mt -147.06 141.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.77 -150.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 46' ' ' VAL . 30.4 tp -102.96 111.11 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt-85 -160.96 168.43 24.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -47.28 132.93 9.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.486 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.95 56.81 4.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.7 p30 -156.36 -44.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 11.4 t -58.94 -18.09 30.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.362 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 76.5 m-85 -84.48 173.19 11.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -104.55 152.79 17.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.06 -58.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.63 -45.65 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLY . 10.7 mttt -63.5 -61.65 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 83.2 mt -40.02 -51.79 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -53.25 -59.59 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -39.87 -63.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.474 HG21 ' CD1' ' A' ' 76' ' ' ILE . 61.4 mt -40.31 -56.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.0 mt -55.46 -42.27 74.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.7 mt-10 -69.85 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -114.73 27.81 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.474 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -66.0 -67.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -41.4 -37.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -49.1 20.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' HG21 ' A' ' 69' ' ' ILE . 5.0 mt -46.52 153.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -170.59 125.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.96 99.7 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 78.1 t -85.89 129.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.4 130.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.42 -38.24 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -141.75 94.27 7.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.47 19.56 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -59.77 -21.99 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.412 HD11 ' ND1' ' A' ' 40' ' ' HIS . 91.3 mt -70.97 -45.96 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 44' ' ' LEU . 65.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 30.2 mt -57.9 -46.75 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' LEU . 13.1 mtm180 -37.98 -57.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -55.64 -46.41 77.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.6 mt-30 -59.78 -55.76 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 95.9 t -48.12 -54.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.38 -53.51 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -56.19 -46.63 79.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 35.4 tp -55.96 -62.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -55.82 -54.83 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -53.45 -49.51 67.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 22.8 m -58.01 -58.04 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.1 mmt180 -46.18 -48.52 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.562 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -50.09 -45.82 52.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.77 -49.92 27.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -58.69 -29.08 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.58 -15.56 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.1 pt -119.44 3.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.45 30.49 64.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -103.41 145.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -39.05 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 7.6 pt-20 -84.49 163.13 48.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.01 136.57 20.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.4 t -122.47 166.01 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 14.2 mtmt -68.0 144.96 54.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.499 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -106.62 115.8 60.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 67.42 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CD1' HG13 ' A' ' 32' ' ' VAL . 19.2 m-85 -37.23 -57.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.24 -54.08 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 52.3 mmtt -50.76 -39.36 52.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.9 m-85 -81.83 -19.93 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.1 mt -81.45 -54.77 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -71.14 -22.3 62.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.408 ' CG ' HD13 ' A' ' 85' ' ' LEU . 39.3 m-70 -131.8 67.27 79.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.18 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.94 -48.92 9.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 61.9 mm-40 -78.31 -52.2 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 3.7 mt -105.63 114.47 28.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 37.1 p90 -149.01 -178.53 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 47' ' ' VAL . 80.0 t -127.74 143.47 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' GLN . 15.9 m -124.02 152.03 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -23.58 33.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.163 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 76' ' ' ILE . 62.8 mt -44.3 154.53 0.39 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 -177.77 3.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.62 139.91 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.81 74.02 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.8 mt -146.31 141.86 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.12 -151.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.4 tp -102.62 115.66 31.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 6.3 mtt180 -165.25 166.91 18.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -45.45 132.78 6.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.495 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.07 55.81 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 6.3 p30 -155.26 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 34.4 t -58.05 -18.73 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 85.7 m-85 -85.08 171.74 11.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.71 154.58 17.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.95 -62.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.59 -47.04 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -61.66 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 83.3 mt -40.16 -49.9 2.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -55.97 -58.49 7.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -40.01 -63.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.475 HG21 ' CD1' ' A' ' 76' ' ' ILE . 71.6 mt -45.27 -53.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.6 mt -55.78 -36.06 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -73.53 -23.25 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.83 28.8 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.46 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.68 -67.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' OG ' ' A' ' 73' ' ' SER . 1.8 m120 -42.67 -38.94 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.8 m -70.7 -51.0 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.475 ' CD1' HG21 ' A' ' 69' ' ' ILE . 9.5 mt -43.89 154.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' VAL . 9.4 tt0 -170.61 129.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.2 m-85 -90.65 99.48 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.0 t -85.43 131.16 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -110.38 130.8 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -114.38 -42.6 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -135.99 93.42 15.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.24 -25.63 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.408 HD13 ' CG ' ' A' ' 40' ' ' HIS . 94.7 mt -68.28 -44.21 76.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.45 ' CD2' ' HG2' ' A' ' 33' ' ' PRO . 75.1 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 10.8 mt -53.56 -49.26 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -37.67 -53.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -50.48 73.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -54.01 -58.6 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 94.0 t -45.28 -60.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -39.64 -51.14 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -58.17 -44.68 88.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 33.9 tp -57.84 -63.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -50.6 -49.15 57.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.8 m120 -60.97 -60.01 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -45.43 -45.86 13.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 59.0 mmt-85 -61.22 -46.82 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -51.73 -45.5 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -49.12 -49.54 41.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.46 -27.42 66.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.75 -17.36 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -116.98 1.82 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.28 30.9 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mt -102.43 145.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -39.19 19.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -84.39 162.05 52.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 137.92 22.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 54.4 t -124.71 165.93 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 24.1 mtmt -68.85 151.11 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.522 HG11 ' CD1' ' A' ' 34' ' ' TYR . 2.9 t -111.1 117.24 50.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.98 68.39 5.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.522 ' CD1' HG11 ' A' ' 32' ' ' VAL . 19.7 m-85 -36.96 -59.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -41.13 -57.11 2.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.8 mmtt -45.73 -45.68 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -74.99 -24.54 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.055 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.1 mt -77.41 -57.85 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.2 mtm -68.51 -22.88 64.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.42 ' ND1' HD11 ' A' ' 85' ' ' LEU . 18.6 m-70 -130.37 68.95 81.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -19.49 17.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.13 -32.71 24.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.3 mp0 -88.18 -50.67 6.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 1.4 mt -116.66 119.27 34.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.6 p90 -147.68 -178.55 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.457 ' CG1' HD13 ' A' ' 49' ' ' LEU . 39.7 t -124.38 146.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' CG2' ' A' ' 79' ' ' VAL . 3.0 m -131.01 143.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 108.6 -27.24 13.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD13 ' CG1' ' A' ' 46' ' ' VAL . 41.6 mt -40.59 154.06 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 178.81 6.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.02 142.33 43.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.38 29.68 75.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.4 mt -147.26 144.7 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.09 -152.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 46' ' ' VAL . 36.9 tp -101.36 111.58 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.529 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.0 mtt85 -161.88 165.44 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -44.6 132.99 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.96 59.94 5.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.99 -44.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.45 -18.23 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 89.3 m-85 -85.23 174.23 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.18 154.54 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -41.49 -61.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.54 -49.05 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 51.9 mttt -58.29 -62.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 81.7 mt -39.05 -52.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -52.72 -59.46 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.25 -64.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.423 HD11 ' CG2' ' A' ' 53' ' ' ILE . 97.2 mt -43.11 -54.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.4 mt -55.02 -39.47 69.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' LYS . 8.4 mt-10 -71.29 -19.86 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.14 29.07 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.32 -65.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.82 -47.65 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -51.9 64.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.455 ' CD1' HD23 ' A' ' 49' ' ' LEU . 6.5 mt -42.72 153.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -170.32 130.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -91.12 97.76 11.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.9 t -82.78 130.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.9 mm -109.4 130.52 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -38.28 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -143.33 95.86 5.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.31 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.5 -21.57 62.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.42 HD11 ' ND1' ' A' ' 40' ' ' HIS . 80.7 mt -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' A' ' 44' ' ' LEU . 55.0 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 23.5 mt -62.51 -46.21 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mtm-85 -38.12 -54.69 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.8 -47.56 84.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -58.14 -53.61 56.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 85.6 t -50.91 -56.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -42.59 -51.8 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 18' ' ' THR . 35.2 tp -57.46 -45.98 84.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 36.1 tp -55.78 -61.67 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -55.77 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -54.07 -47.86 71.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 21.4 m -58.91 -54.43 47.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.439 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmt-85 -51.28 -45.54 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.9 t80 -51.83 -46.42 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -48.11 -49.28 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -58.75 -29.43 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.61 -14.52 60.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.8 pt -120.89 6.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.53 31.91 71.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -104.86 144.94 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -85.39 -38.09 19.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.9 pt-20 -83.89 160.18 58.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.03 134.05 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.6 t -120.73 166.22 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 12.9 mtmt -67.18 151.63 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -114.03 115.91 45.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.0 68.85 5.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.782 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD1' HG13 ' A' ' 32' ' ' VAL . 20.6 m-85 -36.85 -58.45 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.81 -56.07 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 16.0 mmtt -47.87 -42.17 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.8 m-85 -78.97 -23.01 44.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.9 mt -79.02 -56.92 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.12 -22.76 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.415 ' ND1' HD13 ' A' ' 85' ' ' LEU . 19.8 m-70 -129.99 69.07 81.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -40.46 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 6.9 mp0 -81.67 -52.69 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.418 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 1.1 mt -112.39 119.52 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.0 p90 -151.2 -175.49 5.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.434 HG23 ' CD2' ' A' ' 55' ' ' LEU . 69.4 t -129.33 146.71 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.6 m -126.52 149.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 104.4 -28.61 14.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 76' ' ' ILE . 30.2 mt -40.28 153.47 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.754 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.5 Cg_endo -74.98 170.98 19.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 140.53 53.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.65 29.92 71.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -148.28 144.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 -155.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 29.5 tp -99.14 119.14 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.4 mtt180 -170.61 164.91 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -47.24 135.06 9.23 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 53.37 3.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -144.17 -46.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.0 t -59.66 -19.66 50.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 87.0 m-85 -84.58 169.78 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -107.66 155.99 16.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.22 -55.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.53 -49.25 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -62.29 -60.59 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 82.2 mt -40.26 -51.39 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -55.26 -59.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.88 -63.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.401 HG23 ' CD1' ' A' ' 76' ' ' ILE . 59.4 mt -44.65 -55.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.6 mt -55.07 -35.6 64.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.5 mt-10 -72.37 -26.48 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.77 28.49 8.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.46 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.23 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -46.65 -35.05 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.7 m -73.68 -48.65 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.431 ' CD1' HD23 ' A' ' 49' ' ' LEU . 11.5 mt -46.34 155.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -170.47 128.0 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -88.96 98.71 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -84.42 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mm -110.56 130.71 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -40.05 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 mtt85 -141.79 95.6 6.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.47 20.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.98 -25.63 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.415 HD13 ' ND1' ' A' ' 40' ' ' HIS . 58.3 mt -68.5 -43.34 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.416 ' CD2' ' HG2' ' A' ' 33' ' ' PRO . 70.1 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 15.3 mt -51.81 -47.09 64.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.79 -60.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -53.01 -47.21 68.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.99 -60.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 74.8 t -44.18 -50.99 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -46.06 -54.44 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 18' ' ' THR . 39.1 tp -54.74 -44.44 73.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 37.8 tp -57.94 -65.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -53.32 -50.46 64.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -58.03 -47.18 83.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 20.0 m -60.62 -56.53 20.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 42.5 mmt-85 -46.95 -47.6 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 19.3 t80 -50.81 -46.0 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.26 24.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -59.08 -29.24 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.81 -14.02 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -121.15 4.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.87 30.86 67.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mt -102.37 147.01 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.25 -34.96 18.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -88.8 162.95 37.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.8 t -124.01 165.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.3 mtmt -67.28 146.72 53.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.522 HG11 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -108.38 116.85 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.47 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.5 Cg_endo -74.99 66.31 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.522 ' CD1' HG11 ' A' ' 32' ' ' VAL . 19.0 m-85 -36.32 -58.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.2 p -41.0 -56.37 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.3 mmtt -47.38 -43.18 23.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.8 m-85 -78.12 -23.16 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' TYR . 69.4 mt -77.44 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.1 mtm -67.91 -23.02 65.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.434 ' CG ' ' CD1' ' A' ' 85' ' ' LEU . 19.6 m-70 -129.98 69.19 81.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.19 18.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -35.94 22.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 11.1 mp0 -84.39 -52.81 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 1.9 mt -113.23 118.81 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 34.6 p90 -149.14 -179.59 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 55' ' ' LEU . 71.6 t -126.03 139.3 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.423 ' N ' HG13 ' A' ' 46' ' ' VAL . 4.9 m -119.48 152.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.86 26.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 76' ' ' ILE . 21.1 mt -41.11 155.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.97 -173.88 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.92 140.54 33.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.58 29.68 75.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.5 142.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.84 -153.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 29.2 tp -101.41 116.56 33.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.0 mtt180 -169.9 163.39 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -41.58 132.55 2.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.04 57.13 4.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.77 . . . . 0.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -150.11 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.45 -22.46 43.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 56' ' ' ARG . 92.4 m-85 -80.48 164.52 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -97.82 153.34 20.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.33 -56.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -45.01 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 49.0 mttt -61.77 -62.15 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 83.7 mt -39.51 -52.85 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.2 mtt-85 -51.64 -59.97 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.4 mt -44.88 -55.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -55.04 -40.49 70.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.01 -20.88 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.44 28.42 8.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.478 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.2 -63.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.403 ' N ' ' HG ' ' A' ' 73' ' ' SER . 0.9 OUTLIER -45.05 -34.51 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CD1' HD23 ' A' ' 49' ' ' LEU . 8.6 mt -44.65 155.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -170.39 126.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.35 99.09 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.468 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 71.6 t -85.67 130.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mm -109.79 130.95 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.54 -41.85 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -138.27 94.22 11.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.93 19.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.59 -21.77 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.434 ' CD1' ' CG ' ' A' ' 40' ' ' HIS . 76.1 mt -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 25.0 mt -60.06 -41.83 93.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -38.24 -60.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -53.18 -51.73 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -50.54 -52.4 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 95.2 t -51.11 -52.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -45.32 -54.18 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.0 tp -55.2 -47.0 75.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 33.6 tp -55.05 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -52.12 -57.26 10.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -53.02 -54.31 37.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 50.3 m -53.09 -46.04 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -58.62 -47.62 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.1 t80 -51.37 -45.2 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -48.73 -49.37 38.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -57.67 -29.92 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.33 -16.4 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.7 pt -119.8 10.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.07 32.09 82.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mt -104.72 142.73 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -36.73 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.8 pt-20 -83.77 159.68 60.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 54.5 t -121.18 166.11 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 13.4 mtmt -69.65 148.86 48.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.1 t -109.34 117.26 53.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.483 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -75.04 67.14 6.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.769 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.8 m-85 -36.51 -57.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.0 -55.82 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.4 mmtm -48.5 -41.74 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -79.21 -22.6 44.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.8 mt -78.13 -57.67 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -68.56 -23.12 64.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.422 ' ND1' HD12 ' A' ' 85' ' ' LEU . 18.8 m-70 -130.2 68.84 81.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.91 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -33.33 29.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 5.7 mp0 -86.72 -53.34 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mt -112.3 118.01 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -148.24 -178.31 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 55' ' ' LEU . 90.2 t -127.56 140.74 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.421 ' N ' HG12 ' A' ' 46' ' ' VAL . 15.5 m -121.4 151.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -27.73 18.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 76' ' ' ILE . 22.7 mt -42.04 153.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.488 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.786 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -76.84 145.92 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.58 29.91 76.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.157 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.488 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 14.0 mt -146.06 139.92 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 -153.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 46' ' ' VAL . 43.1 tp -105.56 107.94 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 11.3 mtt-85 -157.76 159.14 36.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -45.46 141.02 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 54.56 3.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -141.26 -45.99 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 t -82.43 53.12 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 51.6 m-85 -144.36 176.34 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -108.28 148.75 16.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.37 -58.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.09 -46.3 44.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -56.56 -62.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 70.8 mt -41.09 -51.01 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 61.0 mtt-85 -58.69 -57.76 11.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -63.96 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.45 HG21 ' CD1' ' A' ' 76' ' ' ILE . 70.2 mt -45.46 -51.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.16 -37.73 75.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 6.2 mt-10 -72.87 -23.05 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.93 24.21 13.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.89 -67.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -43.77 -36.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 m -72.52 -46.91 52.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HD22 ' A' ' 49' ' ' LEU . 11.6 mt -48.26 154.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -170.36 129.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -91.22 96.69 10.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.1 t -81.71 130.48 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.5 mm -108.95 131.05 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.7 -40.1 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -140.12 94.55 8.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.59 20.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.25 -23.58 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.422 HD12 ' ND1' ' A' ' 40' ' ' HIS . 78.5 mt -70.66 -42.54 70.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' ARG . 40.7 mt -70.48 -40.97 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 10.6 mtm-85 -37.69 -55.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -57.27 -50.94 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -52.87 -52.18 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 74.0 t -53.26 -53.15 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.35 -51.62 8.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 18' ' ' THR . 32.8 tp -57.86 -45.89 85.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 30.1 tp -56.67 -63.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -53.15 -54.61 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 30' ' ' VAL . 4.6 m120 -55.33 -54.83 38.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 36.1 m -51.37 -52.44 45.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -53.23 -49.16 67.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 20.8 t80 -49.76 -46.08 50.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.17 -50.21 21.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -58.58 -29.66 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -73.95 -13.98 60.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 21.5 pt -120.78 1.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 75.08 28.81 61.62 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mt -102.38 144.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.46 -37.25 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 7.5 pt-20 -84.84 162.31 50.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.01 136.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.029 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.7 t -123.75 165.95 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.7 mtmt -67.29 149.46 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -112.75 116.04 48.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.483 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.5 Cg_endo -74.93 67.22 5.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CD1' HG13 ' A' ' 32' ' ' VAL . 19.8 m-85 -36.33 -56.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -43.08 -55.53 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.938 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 8.2 mmtt -48.69 -40.04 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' TYR . 31.1 m-85 -81.13 -21.62 39.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.3 mt -80.38 -58.46 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.48 -23.29 65.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.411 ' ND1' HD13 ' A' ' 85' ' ' LEU . 15.6 m-70 -129.64 69.48 81.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.17 14.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.72 -33.31 35.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 3.4 mp0 -86.63 -54.56 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 1.6 mt -112.69 122.22 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 28.9 p90 -152.16 178.62 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.464 HG23 ' CD2' ' A' ' 55' ' ' LEU . 73.1 t -125.09 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.404 ' N ' HG12 ' A' ' 46' ' ' VAL . 4.3 m -119.77 149.48 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.32 -19.63 42.25 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' ' 76' ' ' ILE . 27.4 mt -48.64 153.83 1.32 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.79 139.64 41.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.17 29.86 72.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -147.22 141.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 -150.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 46' ' ' VAL . 31.6 tp -105.01 115.4 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.2 mtt180 -167.17 163.06 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.39 132.95 2.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -147.27 -46.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.16 -23.55 48.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -79.47 172.08 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -109.05 155.43 16.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -39.92 -56.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.62 -52.85 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.87 -58.88 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.6 mt -40.02 -51.3 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 3.0 mtp180 -55.42 -59.15 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -39.32 -63.03 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.8 mt -45.45 -54.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.35 -37.52 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -71.62 -20.37 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.03 28.76 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.45 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 87.0 p -59.46 -51.71 68.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -60.12 3.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 p -51.17 -46.38 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.45 ' CD1' HD21 ' A' ' 49' ' ' LEU . 5.6 mt -47.91 149.33 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -170.78 125.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.95 99.02 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.6 t -85.11 130.1 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 mm -109.26 130.81 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -42.6 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -138.55 94.76 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -16.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.15 -22.89 31.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.411 HD13 ' ND1' ' A' ' 40' ' ' HIS . 68.4 mt -72.48 -44.64 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.1 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 24.8 mt -60.7 -46.08 91.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -38.3 -58.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.41 -47.12 73.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.5 -54.63 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 96.9 t -50.35 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.76 -52.87 4.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.5 tp -56.12 -46.16 79.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 36.2 tp -57.06 -68.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -45.69 -54.6 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.7 m120 -57.03 -60.65 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 30.3 m -44.24 -49.23 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -56.77 -49.7 74.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -49.58 -46.69 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.84 -50.25 26.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -58.6 -29.47 66.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -73.71 -16.26 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.9 pt -118.35 2.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.14 30.31 61.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mt -103.26 143.17 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -83.58 -36.79 23.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.059 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 5.6 pt-20 -84.39 159.71 58.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.04 134.99 18.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.2 t -122.16 166.05 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 21.4 mtmt -68.99 153.13 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.0 t -113.69 116.54 45.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.05 71.65 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.457 ' CD1' HG13 ' A' ' 32' ' ' VAL . 21.1 m-85 -38.56 -59.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.91 -55.81 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 71.0 mmtt -48.31 -42.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 30.4 m-85 -79.44 -22.28 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.0 mt -79.09 -57.86 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.99 -22.6 64.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -129.89 69.15 81.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.1 18.24 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -34.21 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.1 mp0 -86.67 -54.92 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 1.6 mt -112.11 118.26 34.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.4 p90 -148.51 -178.82 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.46 HG22 ' CD2' ' A' ' 55' ' ' LEU . 48.5 t -123.35 148.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 79' ' ' VAL . 2.9 m -133.94 143.54 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.02 -13.92 40.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 76' ' ' ILE . 28.7 mt -53.37 155.53 4.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -172.38 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.37 143.04 30.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.45 30.46 77.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.35 142.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -135.29 -155.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 46' ' ' VAL . 45.5 tp -100.92 110.45 22.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 mtt85 -159.66 170.23 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -47.97 132.82 11.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.494 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.33 3.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.9 p30 -154.04 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 8.0 t -58.17 -20.79 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 70.2 m-85 -81.35 -179.14 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.14 153.41 17.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -42.22 -58.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.0 -51.15 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' CB ' HD13 ' A' ' 53' ' ' ILE . 52.9 mttt -59.97 -59.75 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 85.6 mt -39.42 -48.44 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -57.49 -59.04 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -40.85 -63.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.1 mt -42.49 -57.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.1 mt -52.85 -41.0 63.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.81 -21.62 64.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.77 31.25 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.63 -66.56 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.2 m-80 -42.1 -44.59 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.8 m -65.43 -45.77 82.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CD1' HD23 ' A' ' 49' ' ' LEU . 4.9 mt -49.45 154.04 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' VAL . 23.8 tt0 -170.62 126.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -88.26 98.32 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -83.81 130.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.9 mm -109.65 130.87 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -113.28 -38.72 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -142.09 95.18 6.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.98 20.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.76 -23.38 64.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.68 -44.49 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.8 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 36.4 mt -71.44 -41.44 69.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.751 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -38.77 -59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -52.99 -47.11 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.52 -54.92 41.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 85.7 t -51.02 -61.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' VAL . 3.1 mt-10 -38.55 -49.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.2 tp -60.75 -47.17 87.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 36.1 tp -54.62 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -58.83 -56.36 23.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.51 -44.64 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.2 m -62.88 -59.09 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -47.01 -45.17 20.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 25.0 t80 -52.0 -46.49 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -46.99 -49.64 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -59.04 -29.98 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -72.97 -15.84 61.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.4 pt -118.21 -0.26 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 76.6 29.0 58.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mt -100.89 148.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -39.34 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 5.3 pt-20 -85.92 164.46 39.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.0 23.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.3 t -125.17 166.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 25.4 mtmt -67.93 143.87 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.555 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -104.26 114.58 64.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -75.01 66.68 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.555 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.5 m-85 -36.84 -58.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 69.8 mmtt -47.88 -42.59 27.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.3 m-85 -78.5 -22.55 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' TYR . 96.4 mt -78.01 -56.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.7 mtm -69.16 -22.89 63.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.415 ' ND1' HD12 ' A' ' 85' ' ' LEU . 20.0 m-70 -130.17 68.39 81.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.19 15.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -36.93 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 5.6 mp0 -84.04 -52.19 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mt -112.42 121.28 44.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -152.37 -177.68 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 55' ' ' LEU . 74.2 t -128.09 143.6 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' GLN . 15.3 m -123.52 151.11 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.35 -25.3 27.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.2 mt -42.09 155.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 0.761 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 -170.26 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 141.42 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.61 29.74 76.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -144.36 141.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.59 -149.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.456 ' CD2' HG23 ' A' ' 46' ' ' VAL . 28.3 tp -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.7 mtt180 -158.89 166.09 32.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -45.32 132.83 5.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.0 Cg_endo -75.08 52.96 3.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -151.54 -45.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.67 -19.71 17.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 77.0 m-85 -84.0 179.45 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -114.85 154.76 16.78 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.67 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.44 -52.28 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 2.8 mttp -60.76 -59.56 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 86.9 mt -39.76 -50.03 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -55.87 -59.27 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -40.34 -63.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.6 mt -40.96 -60.26 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.7 mt -51.77 -46.12 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.32 -22.42 66.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.68 25.21 12.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.455 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 84.8 p -60.14 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -42.11 -41.97 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -68.91 -53.59 20.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' SER . 6.4 mt -40.62 152.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 25.5 tt0 -170.25 126.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -86.22 100.4 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -86.93 130.92 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mm -109.99 130.76 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.14 -41.32 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -139.73 95.0 8.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.97 20.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -59.41 -21.32 59.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.233 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.415 HD12 ' ND1' ' A' ' 40' ' ' HIS . 78.6 mt -73.54 -44.63 57.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.425 ' CD2' ' HG2' ' A' ' 33' ' ' PRO . 71.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 21.8 mt -61.8 -47.62 84.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -40.54 -56.33 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -56.17 -45.06 79.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.87 -53.16 60.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 93.0 t -48.93 -56.89 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -43.0 -56.47 3.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 18' ' ' THR . 30.8 tp -54.35 -47.94 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 38.3 tp -53.17 -63.29 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -54.95 -58.59 7.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -50.15 -48.04 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -60.33 -53.47 57.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 6.7 mmt180 -51.44 -46.48 63.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.59 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -51.55 -47.5 63.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -46.33 -49.57 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -58.12 -32.3 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -71.38 -12.49 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.6 pt -122.67 2.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.09 29.69 62.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mt -103.46 143.57 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 0.78 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.42 -37.94 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 4.9 pt-20 -83.15 159.64 61.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.5 17.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.5 t -121.24 166.05 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.59 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 15.5 mttt -67.57 147.64 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.532 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -107.71 115.7 58.65 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.0 67.05 5.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.532 ' CD1' HG13 ' A' ' 32' ' ' VAL . 22.8 m-85 -37.48 -60.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 75.1 mmtt -46.86 -44.03 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CB ' HD22 ' A' ' 55' ' ' LEU . 37.1 m-85 -77.24 -23.65 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 93.9 mt -77.77 -56.23 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.52 -23.02 64.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -130.03 68.81 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.635 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.52 20.66 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -37.93 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.8 mp0 -84.12 -53.01 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 86' ' ' LEU . 2.7 mt -112.31 117.43 32.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.7 p90 -148.13 179.91 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.466 HG23 ' CD2' ' A' ' 55' ' ' LEU . 70.2 t -126.31 139.65 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' GLN . 18.3 m -120.46 153.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 101.49 -27.27 21.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' GLY . 26.3 mt -40.38 155.53 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.01 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -84.9 138.21 32.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.68 70.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 11.4 mt -144.52 139.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.6 -151.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 46' ' ' VAL . 37.8 tp -101.97 90.55 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 1.9 mtt180 -135.31 161.47 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.05 145.9 31.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.497 ' O ' ' CD ' ' A' ' 9' ' ' ARG . 18.3 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -150.58 -46.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 52.6 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 108.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 1.1 m-85 -139.06 -86.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.21 151.42 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.32 -63.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -40.29 -60.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 16.8 mttt -55.54 -59.86 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 78.4 mt -39.35 -50.71 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.6 mtt-85 -59.28 -57.36 13.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -39.85 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' LYS . 18.2 mt -39.15 -56.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.0 mt -53.41 -48.05 69.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.4 -18.84 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.46 20.74 15.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.443 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 32.8 p -55.23 -47.06 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -60.5 -50.83 71.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.4 m -60.49 -46.91 88.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.5 mt -45.09 150.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.6 tt0 -170.51 125.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.5 m-85 -87.77 100.65 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.548 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 70.4 t -87.45 131.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.6 mm -109.42 131.01 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.84 -37.55 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -143.73 95.04 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -15.24 20.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.31 -23.37 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.75 -46.12 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 44' ' ' LEU . 46.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 34.4 mt -57.02 -46.37 82.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 50.8 mtm-85 -38.76 -57.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -54.64 -42.27 71.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.374 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.4 mt-30 -64.18 -59.58 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 85.0 t -44.3 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.19 -54.2 2.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -56.03 -45.87 79.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -56.79 -69.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -44.43 -47.79 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 4.0 m120 -62.69 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -39.5 -40.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -65.99 -49.95 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 29.7 t80 -49.72 -47.19 50.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.54 -49.82 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -58.92 -28.5 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -75.0 -19.54 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.6 pt -114.69 8.82 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.56 32.86 82.83 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -102.77 145.71 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.51 -37.78 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -85.73 161.41 50.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.02 137.94 22.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.434 1.755 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 70.9 t -127.69 164.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 3.2 mmmt -61.23 -175.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.0 t -142.9 117.08 6.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.01 67.06 6.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 37' ' ' PHE . 22.0 m-85 -36.89 -58.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.07 -55.55 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.3 mmtt -48.65 -42.05 33.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' TYR . 34.3 m-85 -79.1 -22.21 45.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -79.37 -56.69 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -69.08 -22.37 64.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' HD12 ' A' ' 85' ' ' LEU . 33.9 m-70 -130.6 68.73 81.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.76 21.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -46.66 9.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.5 mt-10 -78.05 -51.62 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 2.0 mt -111.41 116.15 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.536 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.7 p90 -147.66 179.41 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.33 146.2 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.47 151.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -26.3 25.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 mt -41.08 153.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.78 139.0 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.19 29.79 71.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.9 mt -146.77 142.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.59 -151.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.953 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.8 tp -102.36 111.23 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.5 mtt180 -159.72 168.49 25.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -52.95 135.37 47.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 55.55 3.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -144.69 -47.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.68 -32.83 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 86.7 m-85 -68.45 160.66 29.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -100.43 156.26 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.76 -57.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.36 -49.85 32.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.0 mttt -61.21 -58.37 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 88.4 mt -40.03 -52.71 2.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -53.81 -56.17 19.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -62.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.441 HG23 ' CD1' ' A' ' 76' ' ' ILE . 47.7 mt -42.92 -58.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.75 -46.44 64.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.63 -22.05 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.28 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 88.5 p -66.91 -67.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -45.02 -34.15 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -78.31 -43.93 26.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.441 ' CD1' HG23 ' A' ' 69' ' ' ILE . 2.9 mt -49.49 153.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -170.44 125.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -87.28 98.06 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.536 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -83.1 131.72 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.5 mm -111.92 130.69 65.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -112.98 -43.48 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.433 ' CD ' ' HG2' ' A' ' 43' ' ' GLU . 4.9 mtp85 -137.24 94.75 12.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.64 20.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.16 -26.62 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 40' ' ' HIS . 45.2 mt -66.81 -43.32 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 33' ' ' PRO . 69.6 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 37.5 mt -67.42 -41.42 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.9 mtm-85 -38.03 -62.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -49.8 -44.32 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LEU . 8.3 mt-30 -62.13 -54.2 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 95.4 t -52.45 -49.23 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -48.46 -53.67 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -55.38 -46.48 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 33.8 tp -54.79 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -56.06 -55.62 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -52.13 -46.95 65.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.8 m -61.67 -60.3 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.4 mmt180 -42.33 -48.95 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.9 t80 -50.12 -46.69 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.03 -50.77 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.49 -28.99 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.3 -17.14 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.446 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -117.4 3.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.43 30.59 62.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.414 ' CD1' HD12 ' A' ' 24' ' ' ILE . 1.9 mt -102.99 147.5 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -38.96 16.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 4.9 pt-20 -85.99 164.07 40.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 139.82 24.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 56.0 t -126.61 165.85 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 27.4 mtmt -69.41 144.8 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.557 HG11 ' CD1' ' A' ' 34' ' ' TYR . 4.1 t -105.68 117.72 57.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.03 65.19 6.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CD1' HG11 ' A' ' 32' ' ' VAL . 17.2 m-85 -35.28 -56.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -55.12 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 11.9 mmtt -49.36 -41.11 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.1 m-85 -79.36 -21.97 45.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.4 mt -79.48 -57.06 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.3 mtm -69.2 -23.03 63.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' CG ' HD13 ' A' ' 85' ' ' LEU . 11.0 m-70 -130.86 68.59 81.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.62 14.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -32.22 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.0 mp0 -87.96 -51.88 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 3.0 mt -113.24 120.81 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 41.4 p90 -150.92 -177.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 55' ' ' LEU . 89.1 t -130.08 140.51 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' GLN . 15.8 m -120.19 152.67 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.11 -24.18 32.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.8 mt -42.41 155.47 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -176.08 2.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.9 137.29 36.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.69 32.23 74.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.0 mt -147.96 139.51 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.73 -151.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 22.4 tp -99.61 112.87 25.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 15.8 mtt85 -163.11 170.53 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 142.33 84.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.482 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.95 1.61 7.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -100.53 10.25 41.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.55 13.31 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 44.4 m-85 -121.78 136.35 54.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.24 50.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.64 -56.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.68 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -61.84 -59.66 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.419 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 81.9 mt -41.31 -51.97 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 71' ' ' GLU . 11.6 mtp180 -55.47 -59.46 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.52 -64.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.2 mt -44.88 -51.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.0 mt -58.56 -35.62 72.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' LYS . 5.0 mt-10 -73.7 -22.45 59.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.32 26.74 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.61 -61.17 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -49.43 -42.13 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -66.94 -47.89 70.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.4 mt -46.75 153.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' VAL . 24.9 tt0 -170.46 126.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -87.15 97.88 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.7 t -83.19 131.51 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mm -111.38 130.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.59 -42.6 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -136.57 94.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.96 21.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.64 -21.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.402 HD13 ' CG ' ' A' ' 40' ' ' HIS . 95.7 mt -70.62 -44.01 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.5 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 25.0 mt -60.04 -43.78 95.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 66.5 mtm-85 -38.06 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -52.99 -48.82 67.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -54.94 -54.35 43.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 86.4 t -48.99 -53.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -45.29 -54.97 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.0 tp -54.87 -45.97 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 38.4 tp -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -53.79 -55.21 28.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -53.56 -50.59 65.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 27.9 m -57.25 -52.24 66.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -51.37 -48.4 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -50.48 -44.51 55.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -50.08 -49.86 49.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -57.77 -29.29 64.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.23 -19.88 60.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -115.31 8.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.29 31.75 78.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -103.48 145.25 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -38.41 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -84.58 161.9 52.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 136.72 20.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.5 t -123.56 165.89 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 10.2 mtmm -68.29 147.67 51.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.522 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -107.77 117.47 55.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 69.11 5.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.522 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.3 m-85 -39.07 -60.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.4 m -39.98 -56.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.948 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CD ' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -46.09 -45.29 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' TYR . 36.2 m-85 -76.17 -24.25 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.8 mt -76.35 -55.46 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.03 -22.96 63.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.476 ' CG ' HD11 ' A' ' 85' ' ' LEU . 65.5 m-70 -131.1 68.02 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.599 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.34 14.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' CB ' ' OE2' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -81.94 -34.38 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CB ' HD13 ' A' ' 85' ' ' LEU . 2.5 mp0 -86.81 -49.28 7.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 86' ' ' LEU . 3.2 mt -115.19 118.06 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -147.59 -177.86 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.8 t -125.15 141.71 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.78 146.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -28.71 13.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.3 mt -41.9 153.83 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.03 -177.93 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.48 145.03 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.86 29.89 76.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.492 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -145.6 138.54 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 61.2 tp -107.6 110.83 22.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 26.5 mtt180 -162.62 158.54 23.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 5.3 mtt180 -43.03 139.55 2.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.99 52.52 3.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -139.26 -45.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.39 53.38 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 58.4 m-85 -147.05 178.82 8.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -110.52 148.9 17.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.04 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.46 29.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 32.2 mttt -55.97 -62.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 76.2 mt -40.13 -49.21 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -60.55 -57.48 12.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -64.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.461 HG23 ' CD1' ' A' ' 76' ' ' ILE . 60.1 mt -44.22 -53.72 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.6 mt -56.59 -41.55 77.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.69 -23.65 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.66 23.08 14.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 89.8 p -57.19 -67.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.33 -44.84 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -66.69 -49.32 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 69' ' ' ILE . 6.6 mt -45.48 150.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -170.5 126.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -84.85 98.88 10.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.6 t -84.14 130.89 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 mm -110.45 130.29 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.95 -49.91 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -131.61 95.58 23.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.92 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -19.25 65.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.476 HD11 ' CG ' ' A' ' 40' ' ' HIS . 23.5 mt -71.12 -45.24 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.523 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 31.0 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 29.7 mt -58.02 -47.53 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mtm105 -36.96 -58.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -54.78 -47.01 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.9 mt-30 -59.36 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 93.9 t -51.76 -56.17 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -42.44 -51.5 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 18' ' ' THR . 42.9 tp -57.53 -44.62 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 34.9 tp -57.9 -64.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -53.78 -50.87 65.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -57.57 -49.72 75.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 23.0 m -58.02 -49.99 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 -55.12 -45.75 75.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 26.2 t80 -52.53 -45.14 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -49.08 -49.52 41.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -57.88 -30.27 65.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.68 -16.14 61.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.247 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 24.1 pt -119.59 8.4 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.18 32.81 81.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mt -105.94 143.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -38.2 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 5.8 pt-20 -83.24 159.95 60.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.45 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.7 t -121.65 165.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.3 mtmt -68.29 150.79 47.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 20' ' ' TYR . 3.1 t -112.04 117.9 47.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.97 68.15 5.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' HG11 ' A' ' 32' ' ' VAL . 20.9 m-85 -36.6 -58.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -41.4 -56.48 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 5.4 mmtp -47.36 -43.56 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.407 ' CB ' HD23 ' A' ' 55' ' ' LEU . 35.2 m-85 -77.62 -23.07 49.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -78.73 -57.77 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.4 mtm -68.23 -23.25 64.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.437 ' CG ' HD12 ' A' ' 85' ' ' LEU . 21.9 m-70 -130.32 69.04 81.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -38.38 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.2 mp0 -83.1 -52.8 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 3.0 mt -112.0 119.29 37.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 39.0 p90 -150.03 -178.43 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.464 HG23 ' CD2' ' A' ' 55' ' ' LEU . 73.4 t -128.64 138.58 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' GLN . 17.7 m -118.65 155.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.65 -23.19 37.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 76' ' ' ILE . 24.9 mt -44.71 153.74 0.46 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 141.57 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 29.92 75.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.75 141.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.9 -150.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 46' ' ' VAL . 23.1 tp -103.81 112.87 26.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.532 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 12.3 mtt85 -160.97 167.22 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.15 132.9 9.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.96 63.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.86 -43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.4 m -59.04 -22.37 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.314 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 56' ' ' ARG . 88.3 m-85 -78.8 178.03 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.74 154.2 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -41.79 -57.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 -50.24 22.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -60.52 -60.16 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 84.3 mt -39.55 -48.03 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -59.41 -57.87 11.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -62.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.406 HG21 ' CD1' ' A' ' 76' ' ' ILE . 83.6 mt -45.77 -52.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.5 mt -56.66 -39.42 73.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.44 -24.72 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.31 30.54 6.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.459 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.16 -63.55 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -45.57 -43.94 12.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.455 ' CD1' HD21 ' A' ' 49' ' ' LEU . 9.2 mt -46.1 155.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' VAL . 22.1 tt0 -170.36 129.14 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -90.33 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.587 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.3 t -84.36 132.18 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mm -112.82 130.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -112.95 -44.75 3.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -133.75 93.08 21.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.63 21.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.12 -22.39 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.437 HD12 ' CG ' ' A' ' 40' ' ' HIS . 73.2 mt -70.13 -45.36 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.446 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 60.0 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -61.92 121.5 13.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m 59.23 71.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.78 -167.53 14.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 7' ' ' GLY . 1.5 t -120.18 155.37 33.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -66.6 73.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -73.18 -2.28 58.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 27.0 mt -61.4 -45.3 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 22.6 mtm180 -38.1 -58.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -55.35 -48.5 74.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -57.09 -54.11 50.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 84.6 t -49.72 -57.15 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 34.9 tp -57.09 -46.34 82.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -55.62 -64.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -51.92 -56.81 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m120 -53.43 -55.71 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -50.71 -50.3 55.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -55.63 -47.88 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 23' ' ' ALA . 26.5 t80 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.6 -50.27 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.98 -28.24 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -75.47 -16.45 60.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -118.2 3.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.34 29.79 65.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mt -100.86 149.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -39.06 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.9 pt-20 -86.68 165.68 31.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.0 Cg_endo -75.0 138.93 23.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.1 t -124.87 165.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' N ' ' CG1' ' A' ' 30' ' ' VAL . 4.3 mtmp? -68.99 149.83 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.437 HG11 ' CD1' ' A' ' 34' ' ' TYR . 3.4 t -114.52 116.01 44.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.483 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.5 Cg_endo -74.98 70.98 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD1' HG11 ' A' ' 32' ' ' VAL . 20.5 m-85 -37.32 -59.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.5 p -40.73 -56.28 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 10.0 mmtt -47.51 -42.8 23.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.5 m-85 -78.64 -22.88 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.4 mt -79.07 -57.53 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.4 mtm -68.41 -22.84 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.452 ' CG ' ' CD1' ' A' ' 85' ' ' LEU . 20.0 m-70 -130.36 68.9 81.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.7 14.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -27.98 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -92.15 -54.51 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' CD1' HD22 ' A' ' 86' ' ' LEU . 2.1 mt -113.28 118.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.9 p90 -149.76 -179.87 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.465 HG22 ' CD2' ' A' ' 55' ' ' LEU . 83.1 t -125.79 139.58 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 77' ' ' GLN . 17.2 m -119.69 153.75 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.8 -26.26 25.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 76' ' ' ILE . 37.8 mt -41.23 154.92 0.22 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -173.07 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -81.94 141.6 33.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.5 29.72 75.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.87 142.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.94 -151.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.499 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 27.7 tp -100.76 118.61 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt180 -168.3 168.29 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -51.63 135.29 34.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.304 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.79 3.46 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.432 1.753 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -146.04 -46.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.31 -29.4 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 85.4 m-85 -73.37 169.11 17.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -105.38 153.97 17.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.05 -57.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.12 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -60.8 -58.56 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 85.9 mt -40.09 -51.94 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' GLU . 95.2 mtt-85 -55.76 -57.55 11.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -40.33 -59.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.472 HG23 ' CD1' ' A' ' 76' ' ' ILE . 22.7 mt -50.48 -51.67 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.7 mt -57.41 -33.04 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.6 mt-10 -76.19 -25.64 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.59 27.77 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.465 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.91 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.004 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -47.63 -39.73 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.7 m -71.27 -47.39 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.472 ' CD1' HG23 ' A' ' 69' ' ' ILE . 7.8 mt -47.04 153.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.2 tt0 -170.41 130.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -91.7 99.07 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.3 t -85.66 130.74 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.3 mm -108.89 131.03 60.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 -42.5 3.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -136.92 93.82 13.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.85 20.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.73 -23.76 60.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.452 ' CD1' ' CG ' ' A' ' 40' ' ' HIS . 82.3 mt -68.53 -45.38 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 44' ' ' LEU . 27.9 mt -46.42 -47.12 19.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.3 p -83.07 89.52 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -151.58 152.0 32.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -159.71 -164.87 15.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.52 148.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.77 171.82 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -98.19 146.49 31.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.34 32.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.8 p -77.84 140.85 39.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.36 170.48 34.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.4 p -163.02 161.3 25.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -113.36 147.97 36.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.059 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 p -80.97 118.65 22.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -152.55 137.62 17.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.18 176.28 20.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -40.08 -84.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 0.772 . . . . 0.0 109.945 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -99.32 75.74 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.43 -2.43 54.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 33.1 mt -58.04 -45.89 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -39.01 -58.72 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.3 -44.66 72.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -61.97 -60.0 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 97.1 t -44.15 -56.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -41.31 -52.1 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.6 tp -58.02 -45.3 87.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 33.6 tp -56.22 -60.32 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.17 -52.8 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -55.54 -44.73 77.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 19.4 m -61.9 -61.98 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -44.48 -45.17 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.4 t80 -52.0 -44.76 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.31 -49.92 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -58.33 -29.54 66.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.57 -13.17 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.464 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.1 pt -122.13 3.95 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.46 28.63 67.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -101.5 146.75 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 -38.84 16.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 4.4 pt-20 -85.94 166.01 31.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.4 Cg_endo -75.03 139.61 24.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.1 t -126.49 165.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.9 mtmp? -66.22 145.33 55.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.565 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -109.55 115.83 55.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.475 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.96 63.99 5.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.9 m-85 -36.49 -62.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.7 m -39.0 -54.51 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.3 mmmt -48.63 -46.18 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CB ' HD21 ' A' ' 55' ' ' LEU . 36.2 m-85 -73.52 -21.06 60.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.75 -56.04 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 74.7 mtm -70.24 -22.24 62.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -131.11 67.89 81.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -19.6 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 6.1 mp0 -100.94 -51.65 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 HD11 ' CD2' ' A' ' 86' ' ' LEU . 2.0 mt -116.52 114.97 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 29.4 p90 -145.24 -178.92 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 47' ' ' VAL . 92.8 t -126.42 140.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' GLN . 16.1 m -119.77 152.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.6 -25.85 26.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 76' ' ' ILE . 34.2 mt -40.85 155.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -87.05 139.15 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.07 29.73 74.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.6 mt -144.68 142.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -136.71 -151.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD21 ' CB ' ' A' ' 37' ' ' PHE . 33.8 tp -100.46 115.29 29.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 11.0 mtt85 -167.76 164.36 14.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.46 134.19 5.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.469 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 51.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -143.73 -46.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -56.55 -26.51 55.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.478 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 97.3 m-85 -79.33 159.67 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -96.74 156.62 21.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.83 -60.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.52 -45.91 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.81 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.448 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 79.3 mt -40.09 -50.87 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -56.4 -56.17 24.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.18 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.53 -59.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 76' ' ' ILE . 37.4 mt -50.36 -55.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 59.2 mt -52.87 -35.13 57.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -26.06 60.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.21 27.76 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.74 -67.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' N ' ' OG ' ' A' ' 73' ' ' SER . 65.1 m-80 -45.36 -35.86 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -72.9 -47.27 47.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' HG22 ' A' ' 69' ' ' ILE . 11.2 mt -48.85 155.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -170.51 131.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -91.7 99.31 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.8 t -86.74 131.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.9 mm -109.05 130.87 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 -35.55 5.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -144.9 94.69 5.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -15.86 20.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.21 -25.88 64.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' LEU . 76.2 mt -67.05 -51.18 57.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 ' CD2' HD11 ' A' ' 44' ' ' LEU . 53.1 mt -39.39 -77.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.6 t -68.42 85.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.377 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.73 179.75 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.77 -85.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.436 ' CG1' ' O ' ' A' ' 90' ' ' VAL . 3.6 p -96.55 114.41 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -124.72 95.68 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.88 90.44 4.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.62 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 t -124.48 162.59 23.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.18 100.07 1.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.73 2.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.8 m -120.35 82.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.0 m -42.88 -60.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.33 96.9 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 0.73 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -42.77 146.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.45 78.85 0.65 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -102.74 -60.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.032 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.1 m -122.56 72.03 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.4 -6.87 43.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.7 mt -56.59 -49.14 75.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 15.1 mtm180 -38.35 -54.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 mt-30 -62.4 -53.86 48.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.459 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 88.5 t -48.05 -53.0 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -46.8 -54.45 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' THR . 43.0 tp -55.48 -46.11 76.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 34.8 tp -54.71 -56.94 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -61.53 -56.71 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -51.81 -43.52 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 31.2 m -64.59 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.406 ' NH2' ' HA ' ' A' ' 74' ' ' ASN . 11.8 mmt180 -43.28 -44.32 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 22.9 t80 -52.94 -45.71 67.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -46.7 -49.04 20.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -58.25 -32.04 67.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -71.52 -14.96 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.458 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 19.8 pt -120.37 4.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.06 31.47 69.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mt -101.83 150.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.25 -35.26 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.478 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -90.14 164.08 29.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 136.38 20.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.2 t -122.59 165.35 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.597 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.8 mtmt -65.9 147.11 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -111.0 115.91 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.477 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.02 66.1 6.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.527 ' CD1' HG13 ' A' ' 32' ' ' VAL . 21.1 m-85 -36.29 -57.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -42.48 -56.43 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 15.7 mmtt -46.87 -43.81 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.489 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.2 m-85 -76.75 -23.54 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.7 mt -78.84 -56.97 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.8 mtm -68.96 -22.8 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.451 ' CG ' HD13 ' A' ' 85' ' ' LEU . 22.8 m-70 -130.61 68.67 81.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -35.12 27.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.41 -53.43 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.447 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 3.2 mt -111.7 118.53 35.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 33.7 p90 -148.89 -178.67 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG22 ' CD2' ' A' ' 55' ' ' LEU . 77.9 t -128.88 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' GLN . 17.3 m -119.0 155.7 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.08 -22.13 42.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 26.1 mt -47.83 154.79 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -176.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.99 142.59 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.17 29.8 76.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.02 142.42 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.31 -153.01 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.501 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 32.3 tp -101.14 116.92 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 19.0 mtt85 -167.72 165.68 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.44 138.13 50.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.459 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 56.8 4.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.462 ' CG ' ' N ' ' A' ' 60' ' ' CYS . 15.8 p-10 -138.87 -46.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.462 ' N ' ' CG ' ' A' ' 59' ' ' ASN . 37.6 t -64.28 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.332 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 96.5 m-85 -69.84 160.95 30.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.54 157.13 17.65 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.22 -56.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.39 16.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -59.63 -56.98 15.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 86.8 mt -40.18 -50.02 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -59.43 -56.96 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.01 -65.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.406 ' CG1' HG21 ' A' ' 53' ' ' ILE . 43.1 mt -43.54 -53.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 80.8 mt -55.69 -39.14 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -70.68 -20.76 62.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.48 25.68 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.459 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.01 -67.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' HA ' ' NH2' ' A' ' 19' ' ' ARG . 6.9 m120 -43.82 -43.16 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -64.62 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.6 mt -46.76 155.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.7 tt0 -170.31 127.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -89.26 99.46 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -85.86 130.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.5 mm -109.89 131.02 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.6 -44.95 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -135.92 94.63 14.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.91 20.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.15 -25.63 59.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.451 HD13 ' CG ' ' A' ' 40' ' ' HIS . 53.4 mt -67.6 -45.05 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 HD21 ' CG ' ' A' ' 33' ' ' PRO . 75.8 mt -41.64 -65.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 7.0 t -81.99 83.81 7.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -78.07 -53.82 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.0 120.17 0.71 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.04 155.69 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.422 0.719 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.97 89.34 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.6 119.44 30.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.38 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.88 143.66 50.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.28 65.51 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.584 1.178 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 125.18 9.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.18 142.71 28.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.3 t -93.7 -58.62 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -111.26 -57.43 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -86.3 138.8 31.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.09 126.86 39.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.83 -62.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -113.44 71.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.07 -9.93 37.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' GLN . 33.7 mt -52.41 -48.05 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -38.26 -59.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -52.54 -42.14 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.3 mt-30 -65.22 -51.18 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 94.5 t -52.24 -51.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.57 -51.01 12.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.6 tp -58.65 -46.38 87.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 34.6 tp -55.22 -60.02 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -57.04 -56.96 14.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -52.54 -48.43 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 35.9 m -59.25 -54.54 45.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.467 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 49.0 mmt-85 -50.09 -46.09 53.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -52.06 -45.05 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -48.16 -48.74 34.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -59.67 -28.4 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.93 -17.76 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.455 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 21.4 pt -116.48 3.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 71.7 30.04 66.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mt -98.74 154.51 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.429 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 1.3 p -92.65 -35.87 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.6 mm-40 -91.06 165.65 21.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.5 21.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.9 t -124.05 165.85 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 11.7 mtmt -67.41 148.19 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -111.45 117.05 49.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.494 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.01 66.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.543 ' CD1' HG13 ' A' ' 32' ' ' VAL . 19.0 m-85 -35.95 -56.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 3.1 m -43.28 -56.47 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.6 mmtt -46.76 -43.02 17.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 33.7 m-85 -77.51 -24.3 50.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.4 mt -76.38 -54.02 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.2 mtm -72.02 -22.41 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.431 ' CG ' ' CD1' ' A' ' 85' ' ' LEU . 63.7 m-70 -132.16 66.38 77.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.635 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.9 20.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.27 -48.36 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.7 mm-40 -79.87 -51.04 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 5.6 mt -105.69 107.06 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.0 p90 -143.86 -178.4 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 47' ' ' VAL . 96.1 t -127.83 144.97 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' N ' ' A' ' 77' ' ' GLN . 14.4 m -123.7 153.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.33 -26.86 23.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 HD21 ' CD1' ' A' ' 76' ' ' ILE . 27.9 mt -43.58 153.78 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 172.72 15.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.5 140.32 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.55 29.8 71.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -148.34 142.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.08 -151.14 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.491 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 41.0 tp -101.12 118.24 36.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.538 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 18.4 mtt180 -167.24 166.98 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.69 134.85 26.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.07 56.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -145.69 -47.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.1 t -58.39 -35.67 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 94.4 m-85 -65.58 164.73 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.68 155.27 17.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.62 -56.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.78 -50.99 31.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.6 mttt -59.39 -59.13 5.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.428 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 86.3 mt -39.9 -52.56 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' GLU . 6.3 mtt180 -54.36 -59.15 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -61.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.459 HG21 ' CD1' ' A' ' 76' ' ' ILE . 65.0 mt -48.6 -54.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.5 mt -55.76 -33.79 64.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.9 mt-10 -75.69 -26.8 57.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.55 24.34 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.457 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.27 -63.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -46.19 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -65.8 -45.65 81.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' HG21 ' A' ' 69' ' ' ILE . 8.5 mt -48.1 153.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.9 tt0 -170.46 131.65 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.467 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -92.51 98.2 11.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.5 t -84.37 130.72 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.3 mm -109.1 130.92 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -115.09 -41.89 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -134.93 92.51 18.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.06 20.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.71 -25.57 64.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.431 ' CD1' ' CG ' ' A' ' 40' ' ' HIS . 77.0 mt -68.16 -47.07 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.5 mt -41.65 -61.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.8 t -84.05 89.28 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.368 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -57.48 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.93 122.17 2.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.171 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.1 p -165.65 134.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.91 175.05 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.62 119.45 4.98 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 67.62 5.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.53 -162.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.35 80.47 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.163 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.35 31.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.1 m -166.73 108.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.1 p -132.08 103.28 6.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 60.09 168.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.974 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.01 126.46 14.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.08 -129.33 1.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -75.77 -63.51 1.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 110.032 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 p 41.31 74.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.78 -3.29 54.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 23.4 mt -62.15 -46.16 90.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.32 -52.56 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -60.29 -43.18 96.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.7 mt-30 -64.23 -60.07 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 97.3 t -42.81 -59.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' HG2' ' CG ' ' A' ' 58' ' ' PRO . 11.7 mm-40 -43.59 -54.45 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.435 ' CD1' ' HG3' ' A' ' 29' ' ' PRO . 23.2 tp -55.11 -46.15 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 37.6 tp -55.65 -68.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -46.43 -53.79 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -57.6 -42.31 82.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 15.9 m -62.77 -55.02 30.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 20.7 mmm180 -51.22 -44.28 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.3 t80 -53.01 -44.51 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.44 24.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -59.66 -28.57 67.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.72 -18.45 60.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 21.9 pt -115.16 1.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.46 29.31 64.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.446 HD13 ' CG2' ' A' ' 30' ' ' VAL . 1.7 mt -97.44 156.65 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.418 ' N ' HG22 ' A' ' 26' ' ' ILE . 79.1 p -93.09 -38.79 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -91.12 169.7 11.11 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.435 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 142.97 28.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.479 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.0 t -130.19 165.99 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 12.6 mtmt -69.84 144.33 52.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.55 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -104.83 116.98 59.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -75.0 65.28 6.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.55 ' CD1' HG13 ' A' ' 32' ' ' VAL . 18.4 m-85 -36.32 -59.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.1 m -40.93 -56.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 51.3 mmtt -46.48 -44.68 17.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -76.28 -23.95 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.9 mt -75.67 -59.24 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -67.62 -23.25 65.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.429 ' CG ' HD13 ' A' ' 85' ' ' LEU . 14.5 m-70 -129.57 69.35 81.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -26.95 10.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -31.27 56.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.64 -54.07 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' CD1' HD23 ' A' ' 86' ' ' LEU . 1.5 mt -113.7 120.76 41.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 31.5 p90 -148.61 178.77 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.458 HG23 ' CD2' ' A' ' 55' ' ' LEU . 67.5 t -122.63 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.458 HG23 ' CG2' ' A' ' 79' ' ' VAL . 2.5 m -129.39 146.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.85 -24.0 29.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.7 mt -43.99 153.35 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 166.68 28.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.86 142.12 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.06 29.99 70.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 10.7 mt -148.14 142.16 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.93 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.458 ' CD2' HG23 ' A' ' 46' ' ' VAL . 24.3 tp -105.04 103.45 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 16.8 mtt180 -151.38 174.38 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.39 146.69 97.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 1.51 7.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.48 23.86 13.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 23.05 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 108.329 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 33.6 m-85 -128.09 179.93 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.68 162.53 13.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -51.47 -68.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -40.96 -40.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 22.4 mttt -66.71 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 88.6 mt -39.97 -51.49 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LYS . 6.7 mtt-85 -55.82 -57.67 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.73 -63.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.416 HG22 ' CD1' ' A' ' 76' ' ' ILE . 57.7 mt -43.01 -54.81 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.7 mt -55.69 -47.52 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.71 -16.77 58.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.98 19.83 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.419 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 28.5 p -55.2 -56.55 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -55.08 -49.19 72.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 m -59.0 -47.27 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.416 ' CD1' HG22 ' A' ' 69' ' ' ILE . 13.7 mt -45.72 155.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -170.79 125.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 6.2 m-85 -89.53 97.25 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -83.24 130.17 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mm -110.35 130.6 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 -38.19 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -141.64 94.59 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.35 20.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -60.86 -21.13 62.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.429 HD13 ' CG ' ' A' ' 40' ' ' HIS . 91.7 mt -72.1 -43.14 65.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.41 HD23 ' CD1' ' A' ' 44' ' ' LEU . 25.5 mt -50.84 -46.54 60.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 78.1 p -76.42 88.27 3.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -75.92 141.7 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.54 -118.96 0.8 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 p -175.73 126.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.88 120.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.39 129.43 89.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 79.12 2.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.2 150.67 18.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.5 126.09 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.62 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 p -118.0 143.64 46.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.76 143.75 19.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.38 124.32 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.04 -55.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.68 -165.89 31.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -50.66 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -121.68 74.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.23 -3.18 56.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.447 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 35.9 mt -56.34 -44.53 80.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mtm105 -40.31 -56.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -55.37 -40.44 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 8' ' ' LEU . 20.9 mt-30 -65.47 -56.41 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 97.2 t -46.2 -52.38 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.87 -57.26 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 18' ' ' THR . 24.9 tp -52.64 -46.94 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 36.4 tp -56.75 -72.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -43.08 -52.06 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m-20 -59.4 -43.15 93.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' LEU . 8.7 m -61.35 -55.5 30.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 19.7 mmm180 -50.12 -45.06 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 20.0 t80 -51.53 -46.39 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -46.84 -49.82 19.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -58.33 -30.05 66.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -73.9 -14.9 61.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.471 HD11 ' CD1' ' A' ' 26' ' ' ILE . 22.8 pt -120.7 5.77 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.92 30.84 69.91 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.471 ' CD1' HD11 ' A' ' 24' ' ' ILE . 2.0 mt -103.08 145.28 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.36 -38.07 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -85.01 163.15 47.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 139.31 24.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.7 t -126.58 165.83 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 11.3 mttt -67.91 145.14 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -105.59 115.12 62.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.474 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.0 63.77 6.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CD1' HG13 ' A' ' 32' ' ' VAL . 20.3 m-85 -36.23 -61.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 p -39.33 -55.0 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 24.1 mmmt -48.65 -44.52 37.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' TYR . 38.6 m-85 -76.01 -20.76 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -79.66 -56.01 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.19 -22.91 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.517 ' CG ' HD12 ' A' ' 85' ' ' LEU . 31.9 m-70 -130.52 68.69 81.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -23.9 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -96.49 -53.83 3.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 86' ' ' LEU . 2.2 mt -114.4 115.83 27.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.483 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 27.4 p90 -144.21 177.83 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.476 HG22 ' CD2' ' A' ' 55' ' ' LEU . 46.4 t -121.5 145.07 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 79' ' ' VAL . 3.5 m -129.94 144.81 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.89 21.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -43.45 153.48 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.488 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.97 174.85 12.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.72 141.11 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.04 29.8 72.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.488 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -147.78 138.51 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.94 -150.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.476 ' CD2' HG22 ' A' ' 46' ' ' VAL . 37.6 tp -106.4 103.5 12.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 15.1 mtt180 -153.79 156.94 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.25 141.25 1.92 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.475 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.97 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.85 -45.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 52.48 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 56' ' ' ARG . 58.7 m-85 -144.79 154.94 43.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -90.33 149.92 20.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.54 -52.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -42.95 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLY . 13.7 mttt -60.37 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.447 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 81.4 mt -40.47 -51.55 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.7 mtp180 -54.24 -60.04 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -39.14 -58.5 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.9 mt -48.93 -60.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.5 mt -51.85 -37.28 51.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.01 -29.59 67.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -99.64 13.18 34.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.458 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 86.1 p -50.59 -23.31 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -80.34 -55.9 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -59.69 -41.23 90.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.6 mt -45.37 148.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -170.52 125.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 19' ' ' ARG . 6.9 m-85 -87.59 99.76 12.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.483 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.1 t -86.04 130.39 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.2 mm -110.09 130.83 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.98 -37.12 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -142.81 94.69 6.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.21 -26.26 66.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.517 HD12 ' CG ' ' A' ' 40' ' ' HIS . 33.6 mt -67.57 -49.89 61.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' CD2' HD13 ' A' ' 44' ' ' LEU . 52.0 mt -41.15 -52.71 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.3 p -66.97 85.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.72 74.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.78 101.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.1 p -172.28 105.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.52 61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 63.35 119.73 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.84 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.2 m -67.44 -77.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.11 176.96 47.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 136.58 20.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -170.98 124.8 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.3 m 59.88 154.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.12 118.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -169.32 -59.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.91 -169.51 45.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -70.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -80.68 73.11 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.77 -5.21 50.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.438 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 21.7 mt -62.34 -47.1 85.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.1 mtm105 -37.82 -58.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.06 -48.95 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -56.7 -53.64 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 95.8 t -51.31 -60.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.49 -50.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 18' ' ' THR . 29.7 tp -58.49 -47.12 85.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 32.7 tp -54.81 -61.69 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -55.72 -57.2 12.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -52.05 -47.07 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 25.2 m -60.41 -56.91 15.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -49.07 -45.15 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 24.0 t80 -52.29 -45.47 65.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.14 -50.14 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -59.23 -28.46 66.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -75.12 -13.13 60.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.444 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.0 pt -121.1 -0.85 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 77.61 27.71 58.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 mt -99.77 150.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.98 -39.04 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -86.8 166.0 29.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 139.03 23.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 54.4 t -125.48 166.03 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.8 mtmp? -66.44 147.58 53.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.554 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -111.63 115.1 51.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.01 66.2 6.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.554 ' CD1' HG13 ' A' ' 32' ' ' VAL . 19.7 m-85 -35.61 -56.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.67 -55.73 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.5 mmtt -48.27 -42.33 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' CB ' HD21 ' A' ' 55' ' ' LEU . 32.0 m-85 -78.4 -22.78 47.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.3 mt -78.83 -57.44 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.82 -22.86 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.412 ' ND1' HD11 ' A' ' 85' ' ' LEU . 41.5 m-70 -129.86 69.26 81.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -15.2 21.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.2 -38.77 16.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.7 mp0 -83.17 -54.38 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' CD1' HD23 ' A' ' 86' ' ' LEU . 1.7 mt -111.74 117.67 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.9 p90 -149.05 179.5 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.469 HG22 ' CD2' ' A' ' 55' ' ' LEU . 79.8 t -123.33 140.29 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.5 m -122.98 149.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 103.86 -27.54 19.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' GLY . 17.3 mt -40.51 154.5 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.08 178.08 7.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 140.57 43.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.65 73.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.0 mt -147.06 141.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.77 -150.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.469 ' CD2' HG22 ' A' ' 46' ' ' VAL . 30.4 tp -102.96 111.11 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt-85 -160.96 168.43 24.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -47.28 132.93 9.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.486 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.95 56.81 4.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.7 p30 -156.36 -44.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 11.4 t -58.94 -18.09 30.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.362 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 76.5 m-85 -84.48 173.19 11.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -104.55 152.79 17.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.06 -58.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.63 -45.65 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLY . 10.7 mttt -63.5 -61.65 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.438 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 83.2 mt -40.02 -51.79 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -53.25 -59.59 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -39.87 -63.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.474 HG21 ' CD1' ' A' ' 76' ' ' ILE . 61.4 mt -40.31 -56.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.0 mt -55.46 -42.27 74.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.7 mt-10 -69.85 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -114.73 27.81 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.474 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -66.0 -67.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -41.4 -37.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -49.1 20.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CD1' HG21 ' A' ' 69' ' ' ILE . 5.0 mt -46.52 153.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -170.59 125.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.96 99.7 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 78.1 t -85.89 129.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.1 mm -108.4 130.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.42 -38.24 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 47.5 mtp180 -141.75 94.27 7.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.47 19.56 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -59.77 -21.99 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.412 HD11 ' ND1' ' A' ' 40' ' ' HIS . 91.3 mt -70.97 -45.96 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 44' ' ' LEU . 65.1 mt -42.05 -60.98 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.2 t -85.9 82.0 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -100.7 -55.43 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.84 170.52 27.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.6 p -171.22 152.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.11 163.63 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.35 93.77 2.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.57 20.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.3 t -149.39 -47.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.9 156.88 14.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.2 t -123.53 157.71 32.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.5 p -112.21 129.25 56.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -152.82 -59.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 48.99 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.45 103.87 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.71 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p 45.43 65.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.8 -7.78 44.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 30.2 mt -57.9 -46.75 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' LEU . 13.1 mtm180 -37.98 -57.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -55.64 -46.41 77.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 8' ' ' LEU . 6.6 mt-30 -59.78 -55.76 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.495 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 95.9 t -48.12 -54.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.38 -53.51 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -56.19 -46.63 79.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 35.4 tp -55.96 -62.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -55.82 -54.83 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -53.45 -49.51 67.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 22.8 m -58.01 -58.04 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.1 mmt180 -46.18 -48.52 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.562 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -50.09 -45.82 52.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.77 -49.92 27.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -58.69 -29.08 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.58 -15.56 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.1 pt -119.44 3.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.45 30.49 64.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -103.41 145.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -39.05 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 7.6 pt-20 -84.49 163.13 48.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.01 136.57 20.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.4 t -122.47 166.01 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 14.2 mtmt -68.0 144.96 54.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.499 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -106.62 115.8 60.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.518 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.99 67.42 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.499 ' CD1' HG13 ' A' ' 32' ' ' VAL . 19.2 m-85 -37.23 -57.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.24 -54.08 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 52.3 mmtt -50.76 -39.36 52.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.9 m-85 -81.83 -19.93 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.1 mt -81.45 -54.77 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -71.14 -22.3 62.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.408 ' CG ' HD13 ' A' ' 85' ' ' LEU . 39.3 m-70 -131.8 67.27 79.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.18 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.94 -48.92 9.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 61.9 mm-40 -78.31 -52.2 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 3.7 mt -105.63 114.47 28.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 37.1 p90 -149.01 -178.53 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 47' ' ' VAL . 80.0 t -127.74 143.47 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' GLN . 15.9 m -124.02 152.03 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -23.58 33.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.163 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 76' ' ' ILE . 62.8 mt -44.3 154.53 0.39 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 -177.77 3.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.62 139.91 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.81 74.02 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.8 mt -146.31 141.86 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.12 -151.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 30.4 tp -102.62 115.66 31.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 6.3 mtt180 -165.25 166.91 18.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -45.45 132.78 6.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.495 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.07 55.81 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 6.3 p30 -155.26 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 34.4 t -58.05 -18.73 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 85.7 m-85 -85.08 171.74 11.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.71 154.58 17.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.95 -62.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.59 -47.04 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -61.66 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.455 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 83.3 mt -40.16 -49.9 2.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -55.97 -58.49 7.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -40.01 -63.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.475 HG21 ' CD1' ' A' ' 76' ' ' ILE . 71.6 mt -45.27 -53.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.6 mt -55.78 -36.06 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -73.53 -23.25 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.83 28.8 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.46 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.68 -67.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' OG ' ' A' ' 73' ' ' SER . 1.8 m120 -42.67 -38.94 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.8 m -70.7 -51.0 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.475 ' CD1' HG21 ' A' ' 69' ' ' ILE . 9.5 mt -43.89 154.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' VAL . 9.4 tt0 -170.61 129.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.2 m-85 -90.65 99.48 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.0 t -85.43 131.16 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.7 mm -110.38 130.8 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -114.38 -42.6 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -135.99 93.42 15.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.24 -25.63 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 87' ' ' THR . 94.7 mt -68.28 -44.21 76.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.45 ' CD2' ' HG2' ' A' ' 33' ' ' PRO . 75.1 mt -42.05 -29.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 85' ' ' LEU . 0.7 OUTLIER -168.84 -59.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -174.52 -40.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.14 -157.0 27.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 52.0 t -62.78 106.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER 169.0 113.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -169.71 80.44 0.65 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.42 136.51 12.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.19 97.98 0.95 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.96 5.57 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 m -153.08 135.42 15.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.5 p 179.98 136.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m 47.43 78.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t 60.49 80.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.76 -170.9 24.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t 60.38 117.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 p 46.74 63.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.46 -16.61 16.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 10.8 mt -53.56 -49.26 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -37.67 -53.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -50.48 73.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -54.01 -58.6 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 94.0 t -45.28 -60.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -39.64 -51.14 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -58.17 -44.68 88.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 33.9 tp -57.84 -63.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -50.6 -49.15 57.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.8 m120 -60.97 -60.01 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -45.43 -45.86 13.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 59.0 mmt-85 -61.22 -46.82 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -51.73 -45.5 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -49.12 -49.54 41.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.46 -27.42 66.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.75 -17.36 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.44 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -116.98 1.82 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.28 30.9 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mt -102.43 145.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -39.19 19.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.47 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -84.39 162.05 52.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 137.92 22.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 54.4 t -124.71 165.93 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 24.1 mtmt -68.85 151.11 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.522 HG11 ' CD1' ' A' ' 34' ' ' TYR . 2.9 t -111.1 117.24 50.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.508 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.4 Cg_endo -74.98 68.39 5.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.522 ' CD1' HG11 ' A' ' 32' ' ' VAL . 19.7 m-85 -36.96 -59.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -41.13 -57.11 2.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.8 mmtt -45.73 -45.68 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -74.99 -24.54 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.055 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.1 mt -77.41 -57.85 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.2 mtm -68.51 -22.88 64.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.42 ' ND1' HD11 ' A' ' 85' ' ' LEU . 18.6 m-70 -130.37 68.95 81.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -19.49 17.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.13 -32.71 24.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.3 mp0 -88.18 -50.67 6.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.455 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 1.4 mt -116.66 119.27 34.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.571 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.6 p90 -147.68 -178.55 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.457 ' CG1' HD13 ' A' ' 49' ' ' LEU . 39.7 t -124.38 146.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG23 ' CG2' ' A' ' 79' ' ' VAL . 3.0 m -131.01 143.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 108.6 -27.24 13.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD13 ' CG1' ' A' ' 46' ' ' VAL . 41.6 mt -40.59 154.06 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.482 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 178.81 6.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.02 142.33 43.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.38 29.68 75.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.482 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.4 mt -147.26 144.7 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -138.09 -152.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 46' ' ' VAL . 36.9 tp -101.36 111.58 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.529 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.0 mtt85 -161.88 165.44 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -44.6 132.99 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.96 59.94 5.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.99 -44.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.45 -18.23 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.529 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 89.3 m-85 -85.23 174.23 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.18 154.54 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -41.49 -61.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.54 -49.05 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 51.9 mttt -58.29 -62.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 81.7 mt -39.05 -52.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -52.72 -59.46 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.25 -64.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.423 HD11 ' CG2' ' A' ' 53' ' ' ILE . 97.2 mt -43.11 -54.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 78.4 mt -55.02 -39.47 69.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' LYS . 8.4 mt-10 -71.29 -19.86 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.14 29.07 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.469 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.32 -65.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.82 -47.65 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -51.9 64.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.455 ' CD1' HD23 ' A' ' 49' ' ' LEU . 6.5 mt -42.72 153.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -170.32 130.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -91.12 97.76 11.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.571 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.9 t -82.78 130.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.9 mm -109.4 130.52 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -38.28 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -143.33 95.86 5.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.31 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.5 -21.57 62.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.42 HD11 ' ND1' ' A' ' 40' ' ' HIS . 80.7 mt -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.454 HD23 ' CD1' ' A' ' 44' ' ' LEU . 55.0 mt -41.83 -50.24 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.7 p -86.1 -145.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 60.93 84.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.45 112.54 0.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.4 p -139.64 147.51 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.31 169.42 13.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.28 89.79 0.58 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -49.92 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.72 112.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.65 80.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 m -164.01 162.11 23.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.76 109.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.031 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -101.78 158.42 16.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.43 148.66 26.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -118.48 4.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -92.36 158.92 15.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 9' ' ' ARG . 93.9 p -74.79 75.4 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.69 -5.23 50.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 23.5 mt -62.51 -46.21 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.489 ' CZ ' ' OG ' ' A' ' 6' ' ' SER . 5.4 mtm-85 -38.12 -54.69 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.8 -47.56 84.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -58.14 -53.61 56.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 85.6 t -50.91 -56.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -42.59 -51.8 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 18' ' ' THR . 35.2 tp -57.46 -45.98 84.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 36.1 tp -55.78 -61.67 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -55.77 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -54.07 -47.86 71.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 21.4 m -58.91 -54.43 47.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.439 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmt-85 -51.28 -45.54 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.9 t80 -51.83 -46.42 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -48.11 -49.28 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -58.75 -29.43 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.61 -14.52 60.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.8 pt -120.89 6.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.53 31.91 71.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -104.86 144.94 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -85.39 -38.09 19.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 2.9 pt-20 -83.89 160.18 58.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.03 134.05 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.6 t -120.73 166.22 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 12.9 mtmt -67.18 151.63 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -114.03 115.91 45.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.491 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.0 68.85 5.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.782 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.53 ' CD1' HG13 ' A' ' 32' ' ' VAL . 20.6 m-85 -36.85 -58.45 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.81 -56.07 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 16.0 mmtt -47.87 -42.17 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.8 m-85 -78.97 -23.01 44.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.9 mt -79.02 -56.92 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.12 -22.76 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.415 ' ND1' HD13 ' A' ' 85' ' ' LEU . 19.8 m-70 -129.99 69.07 81.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -40.46 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 6.9 mp0 -81.67 -52.69 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.418 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 1.1 mt -112.39 119.52 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.0 p90 -151.2 -175.49 5.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.434 HG23 ' CD2' ' A' ' 55' ' ' LEU . 69.4 t -129.33 146.71 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.6 m -126.52 149.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 104.4 -28.61 14.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD23 ' CD1' ' A' ' 76' ' ' ILE . 30.2 mt -40.28 153.47 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.754 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.5 Cg_endo -74.98 170.98 19.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 140.53 53.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.65 29.92 71.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -148.28 144.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 -155.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 29.5 tp -99.14 119.14 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.4 mtt180 -170.61 164.91 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -47.24 135.06 9.23 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 53.37 3.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -144.17 -46.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.0 t -59.66 -19.66 50.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 87.0 m-85 -84.58 169.78 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -107.66 155.99 16.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.22 -55.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.53 -49.25 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -62.29 -60.59 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.442 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 82.2 mt -40.26 -51.39 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -55.26 -59.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.88 -63.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.401 HG23 ' CD1' ' A' ' 76' ' ' ILE . 59.4 mt -44.65 -55.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 76.6 mt -55.07 -35.6 64.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.5 mt-10 -72.37 -26.48 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.77 28.49 8.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.46 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.23 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -46.65 -35.05 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.7 m -73.68 -48.65 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.431 ' CD1' HD23 ' A' ' 49' ' ' LEU . 11.5 mt -46.34 155.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -170.47 128.0 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -88.96 98.71 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -84.42 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mm -110.56 130.71 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -40.05 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 20.0 mtt85 -141.79 95.6 6.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.47 20.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.98 -25.63 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.415 HD13 ' ND1' ' A' ' 40' ' ' HIS . 58.3 mt -68.5 -43.34 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.416 ' CD2' ' HG2' ' A' ' 33' ' ' PRO . 70.1 mt -45.25 -49.86 12.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 64.7 p -70.84 86.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -79.93 -57.46 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.76 -158.34 31.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.69 129.88 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 78.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.34 90.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.38 4.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 p -122.57 41.56 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -168.24 106.52 0.25 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -38.51 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -175.39 -62.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -100.06 137.04 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.798 ' N ' HH22 ' A' ' 9' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.0 79.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m 67.12 105.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.38 163.59 11.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.8 -73.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -139.49 65.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.95 -18.06 10.89 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.479 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 15.3 mt -51.81 -47.09 64.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.798 HH22 ' N ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -38.79 -60.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -53.01 -47.21 68.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -57.99 -60.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 74.8 t -44.18 -50.99 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -46.06 -54.44 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 18' ' ' THR . 39.1 tp -54.74 -44.44 73.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.478 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 37.8 tp -57.94 -65.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -53.32 -50.46 64.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -58.03 -47.18 83.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 20.0 m -60.62 -56.53 20.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 42.5 mmt-85 -46.95 -47.6 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 19.3 t80 -50.81 -46.0 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.26 24.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -59.08 -29.24 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.81 -14.02 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -121.15 4.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.87 30.86 67.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mt -102.37 147.01 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.25 -34.96 18.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -88.8 162.95 37.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.8 t -124.01 165.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.3 mtmt -67.28 146.72 53.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.522 HG11 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -108.38 116.85 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.47 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.5 Cg_endo -74.99 66.31 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.522 ' CD1' HG11 ' A' ' 32' ' ' VAL . 19.0 m-85 -36.32 -58.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' LEU . 2.2 p -41.0 -56.37 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.3 mmtt -47.38 -43.18 23.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.8 m-85 -78.12 -23.16 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' TYR . 69.4 mt -77.44 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.1 mtm -67.91 -23.02 65.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.434 ' CG ' ' CD1' ' A' ' 85' ' ' LEU . 19.6 m-70 -129.98 69.19 81.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.19 18.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -35.94 22.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 11.1 mp0 -84.39 -52.81 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 1.9 mt -113.23 118.81 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.468 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 34.6 p90 -149.14 -179.59 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.461 HG21 ' CD2' ' A' ' 55' ' ' LEU . 71.6 t -126.03 139.3 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.423 ' N ' HG13 ' A' ' 46' ' ' VAL . 4.9 m -119.48 152.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.86 26.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 76' ' ' ILE . 21.1 mt -41.11 155.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.97 -173.88 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.92 140.54 33.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.58 29.68 75.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.5 142.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.84 -153.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.497 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 29.2 tp -101.41 116.56 33.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.0 mtt180 -169.9 163.39 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -41.58 132.55 2.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.479 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.04 57.13 4.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.77 . . . . 0.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -150.11 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.45 -22.46 43.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 56' ' ' ARG . 92.4 m-85 -80.48 164.52 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -97.82 153.34 20.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.33 -56.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -45.01 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 49.0 mttt -61.77 -62.15 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 83.7 mt -39.51 -52.85 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.2 mtt-85 -51.64 -59.97 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 85.4 mt -44.88 -55.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -55.04 -40.49 70.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.01 -20.88 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.44 28.42 8.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.478 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.2 -63.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.403 ' N ' ' HG ' ' A' ' 73' ' ' SER . 0.9 OUTLIER -45.05 -34.51 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CD1' HD23 ' A' ' 49' ' ' LEU . 8.6 mt -44.65 155.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -170.39 126.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.35 99.09 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.468 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 71.6 t -85.67 130.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.2 mm -109.79 130.95 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.54 -41.85 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.2 mtt180 -138.27 94.22 11.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.93 19.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.59 -21.77 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.434 ' CD1' ' CG ' ' A' ' 40' ' ' HIS . 76.1 mt -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.9 mt -42.35 -55.79 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.4 p -84.41 -144.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -179.89 -52.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 90' ' ' VAL . . . 148.4 -146.73 16.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.422 ' O ' ' O ' ' A' ' 89' ' ' GLY . 2.3 p 45.32 -170.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' N ' HG13 ' A' ' 90' ' ' VAL . 29.6 tttt -158.65 112.11 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 61.38 103.65 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.42 167.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.77 128.75 8.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.03 6.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.3 t -126.39 -56.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 t 72.77 -61.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -156.2 149.64 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.769 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.88 84.96 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.45 -177.95 54.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' GLY . 41.2 t -57.43 140.03 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 p -65.91 74.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -72.12 -3.52 56.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 25.0 mt -60.06 -41.83 93.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -38.24 -60.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -53.18 -51.73 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.5 mt-30 -50.54 -52.4 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 95.2 t -51.11 -52.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -45.32 -54.18 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.0 tp -55.2 -47.0 75.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 33.6 tp -55.05 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -52.12 -57.26 10.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -53.02 -54.31 37.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 50.3 m -53.09 -46.04 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -58.62 -47.62 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.1 t80 -51.37 -45.2 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -48.73 -49.37 38.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -57.67 -29.92 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.33 -16.4 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.7 pt -119.8 10.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.07 32.09 82.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mt -104.72 142.73 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -36.73 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.8 pt-20 -83.77 159.68 60.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 54.5 t -121.18 166.11 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 13.4 mtmt -69.65 148.86 48.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.492 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.1 t -109.34 117.26 53.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.483 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -75.04 67.14 6.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.769 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.492 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.8 m-85 -36.51 -57.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.0 -55.82 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.4 mmtm -48.5 -41.74 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -79.21 -22.6 44.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.8 mt -78.13 -57.67 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -68.56 -23.12 64.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.422 ' ND1' HD12 ' A' ' 85' ' ' LEU . 18.8 m-70 -130.2 68.84 81.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.91 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -33.33 29.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 5.7 mp0 -86.72 -53.34 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.4 mt -112.3 118.01 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -148.24 -178.31 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 55' ' ' LEU . 90.2 t -127.56 140.74 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.421 ' N ' HG12 ' A' ' 46' ' ' VAL . 15.5 m -121.4 151.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -27.73 18.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 76' ' ' ILE . 22.7 mt -42.04 153.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.488 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.786 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -76.84 145.92 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.58 29.91 76.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.157 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.488 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 14.0 mt -146.06 139.92 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 -153.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 ' CD2' HG22 ' A' ' 46' ' ' VAL . 43.1 tp -105.56 107.94 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 11.3 mtt-85 -157.76 159.14 36.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -45.46 141.02 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 54.56 3.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -141.26 -45.99 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 t -82.43 53.12 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.489 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 51.6 m-85 -144.36 176.34 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -108.28 148.75 16.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.37 -58.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.09 -46.3 44.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -56.56 -62.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 70.8 mt -41.09 -51.01 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 61.0 mtt-85 -58.69 -57.76 11.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -63.96 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.45 HG21 ' CD1' ' A' ' 76' ' ' ILE . 70.2 mt -45.46 -51.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 79.7 mt -58.16 -37.73 75.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 6.2 mt-10 -72.87 -23.05 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.93 24.21 13.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.461 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.89 -67.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -43.77 -36.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 m -72.52 -46.91 52.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HD22 ' A' ' 49' ' ' LEU . 11.6 mt -48.26 154.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -170.36 129.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -91.22 96.69 10.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.1 t -81.71 130.48 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.5 mm -108.95 131.05 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.7 -40.1 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -140.12 94.55 8.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.59 20.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.25 -23.58 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.422 HD12 ' ND1' ' A' ' 40' ' ' HIS . 78.5 mt -70.66 -42.54 70.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 mt -47.26 -50.69 20.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 45.5 p -70.94 87.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 -52.98 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.438 ' O ' ' CG1' ' A' ' 90' ' ' VAL . . . 152.53 -112.14 0.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 89' ' ' GLY . 7.7 p 43.81 55.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.741 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -141.96 145.75 34.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -87.2 126.51 62.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.2 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.25 112.79 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -142.33 -85.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 101.33 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.9 t -92.44 93.65 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.7 p 43.43 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.01 148.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -111.84 122.97 49.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.28 86.99 1.39 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.98 144.92 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -47.6 -96.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.8 -5.3 53.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' ARG . 40.7 mt -70.48 -40.97 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 10.6 mtm-85 -37.69 -55.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -57.27 -50.94 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -52.87 -52.18 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 110.264 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 74.0 t -53.26 -53.15 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.35 -51.62 8.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 18' ' ' THR . 32.8 tp -57.86 -45.89 85.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 30.1 tp -56.67 -63.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -53.15 -54.61 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 30' ' ' VAL . 4.6 m120 -55.33 -54.83 38.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 36.1 m -51.37 -52.44 45.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -53.23 -49.16 67.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 20.8 t80 -49.76 -46.08 50.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.17 -50.21 21.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -58.58 -29.66 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -73.95 -13.98 60.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 21.5 pt -120.78 1.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 75.08 28.81 61.62 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mt -102.38 144.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.46 -37.25 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 7.5 pt-20 -84.84 162.31 50.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.412 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.01 136.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.029 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.7 t -123.75 165.95 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.7 mtmt -67.29 149.46 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -112.75 116.04 48.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.483 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.5 Cg_endo -74.93 67.22 5.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CD1' HG13 ' A' ' 32' ' ' VAL . 19.8 m-85 -36.33 -56.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -43.08 -55.53 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.938 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 8.2 mmtt -48.69 -40.04 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' TYR . 31.1 m-85 -81.13 -21.62 39.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.3 mt -80.38 -58.46 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.48 -23.29 65.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.411 ' ND1' HD13 ' A' ' 85' ' ' LEU . 15.6 m-70 -129.64 69.48 81.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.17 14.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.72 -33.31 35.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 3.4 mp0 -86.63 -54.56 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 1.6 mt -112.69 122.22 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 28.9 p90 -152.16 178.62 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG23 ' CD2' ' A' ' 55' ' ' LEU . 73.1 t -125.09 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.404 ' N ' HG12 ' A' ' 46' ' ' VAL . 4.3 m -119.77 149.48 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.32 -19.63 42.25 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' A' ' 76' ' ' ILE . 27.4 mt -48.64 153.83 1.32 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.79 139.64 41.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.17 29.86 72.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -147.22 141.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 -150.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 46' ' ' VAL . 31.6 tp -105.01 115.4 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.2 mtt180 -167.17 163.06 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.39 132.95 2.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -147.27 -46.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.16 -23.55 48.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -79.47 172.08 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -109.05 155.43 16.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -39.92 -56.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.62 -52.85 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.87 -58.88 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.6 mt -40.02 -51.3 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 3.0 mtp180 -55.42 -59.15 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -39.32 -63.03 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.8 mt -45.45 -54.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.0 mt -56.35 -37.52 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -71.62 -20.37 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.03 28.76 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.45 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 87.0 p -59.46 -51.71 68.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -60.12 3.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 p -51.17 -46.38 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.45 ' CD1' HD21 ' A' ' 49' ' ' LEU . 5.6 mt -47.91 149.33 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -170.78 125.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.95 99.02 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.6 t -85.11 130.1 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.0 mm -109.26 130.81 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -42.6 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -138.55 94.76 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -16.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.15 -22.89 31.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.411 HD13 ' ND1' ' A' ' 40' ' ' HIS . 68.4 mt -72.48 -44.64 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.1 mt -46.25 -51.0 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.5 p -71.77 80.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.423 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -175.17 141.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.424 ' O ' ' O ' ' A' ' 90' ' ' VAL . . . 142.45 105.09 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 89' ' ' GLY . 2.2 p 45.44 -170.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.415 ' N ' HG12 ' A' ' 90' ' ' VAL . 4.9 tmtm? -174.91 76.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -174.94 148.0 1.09 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 83.92 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.532 1.806 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.9 m -77.18 105.89 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -147.86 81.39 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.91 24.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.45 120.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.046 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.8 p -122.0 128.91 51.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 64.45 136.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.936 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -70.61 155.41 40.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.98 87.23 1.13 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.97 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.963 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 p -153.43 70.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.33 -6.74 49.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 24.8 mt -60.7 -46.08 91.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -38.3 -58.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.41 -47.12 73.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -58.5 -54.63 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.494 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 96.9 t -50.35 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.76 -52.87 4.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.5 tp -56.12 -46.16 79.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 36.2 tp -57.06 -68.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -45.69 -54.6 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.7 m120 -57.03 -60.65 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 30.3 m -44.24 -49.23 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -56.77 -49.7 74.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -49.58 -46.69 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.84 -50.25 26.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -58.6 -29.47 66.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -73.71 -16.26 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.9 pt -118.35 2.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.14 30.31 61.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mt -103.26 143.17 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -83.58 -36.79 23.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.059 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 5.6 pt-20 -84.39 159.71 58.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.419 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.04 134.99 18.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.2 t -122.16 166.05 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 21.4 mtmt -68.99 153.13 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.0 t -113.69 116.54 45.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.2 Cg_endo -75.05 71.65 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.457 ' CD1' HG13 ' A' ' 32' ' ' VAL . 21.1 m-85 -38.56 -59.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.91 -55.81 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 71.0 mmtt -48.31 -42.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 30.4 m-85 -79.44 -22.28 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.0 mt -79.09 -57.86 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.99 -22.6 64.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -129.89 69.15 81.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.1 18.24 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -34.21 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.1 mp0 -86.67 -54.92 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 1.6 mt -112.11 118.26 34.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.4 p90 -148.51 -178.82 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.46 HG22 ' CD2' ' A' ' 55' ' ' LEU . 48.5 t -123.35 148.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 79' ' ' VAL . 2.9 m -133.94 143.54 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.02 -13.92 40.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.461 HD23 ' CD1' ' A' ' 76' ' ' ILE . 28.7 mt -53.37 155.53 4.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.481 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -172.38 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.37 143.04 30.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.45 30.46 77.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.35 142.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -135.29 -155.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.46 ' CD2' HG22 ' A' ' 46' ' ' VAL . 45.5 tp -100.92 110.45 22.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 mtt85 -159.66 170.23 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -47.97 132.82 11.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.494 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.33 3.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.9 p30 -154.04 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 8.0 t -58.17 -20.79 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 70.2 m-85 -81.35 -179.14 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.14 153.41 17.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -42.22 -58.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.0 -51.15 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' CB ' HD13 ' A' ' 53' ' ' ILE . 52.9 mttt -59.97 -59.75 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 85.6 mt -39.42 -48.44 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -57.49 -59.04 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -40.85 -63.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 96.1 mt -42.49 -57.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 71.1 mt -52.85 -41.0 63.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.81 -21.62 64.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.77 31.25 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.466 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.63 -66.56 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.2 m-80 -42.1 -44.59 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.8 m -65.43 -45.77 82.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CD1' HD23 ' A' ' 49' ' ' LEU . 4.9 mt -49.45 154.04 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' VAL . 23.8 tt0 -170.62 126.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -88.26 98.32 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -83.81 130.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 8.9 mm -109.65 130.87 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -113.28 -38.72 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.5 mtp180 -142.09 95.18 6.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.98 20.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.76 -23.38 64.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 71.4 mt -69.68 -44.49 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.8 mt -42.77 -53.71 4.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.4 ' O ' ' CG2' ' A' ' 87' ' ' THR . 10.1 t -100.64 94.7 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -162.32 82.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.52 -162.3 36.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.8 p -166.5 133.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -161.42 137.45 8.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.65 85.09 0.2 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.38 5.16 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.0 t -124.2 166.49 15.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.59 96.51 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 72.66 4.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 m -147.16 116.53 7.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.1 t -124.3 -58.58 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -64.9 125.71 25.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.0 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.41 80.26 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -109.76 -62.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -48.94 -97.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.26 -5.24 55.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 36.4 mt -71.44 -41.44 69.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.751 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -38.77 -59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -52.99 -47.11 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.52 -54.92 41.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 85.7 t -51.02 -61.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' VAL . 3.1 mt-10 -38.55 -49.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.2 tp -60.75 -47.17 87.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 36.1 tp -54.62 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -58.83 -56.36 23.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -52.51 -44.64 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.2 m -62.88 -59.09 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -47.01 -45.17 20.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 25.0 t80 -52.0 -46.49 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -46.99 -49.64 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -59.04 -29.98 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -72.97 -15.84 61.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.445 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.4 pt -118.21 -0.26 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 76.6 29.0 58.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.8 mt -100.89 148.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -39.34 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 5.3 pt-20 -85.92 164.46 39.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.0 23.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.3 t -125.17 166.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 25.4 mtmt -67.93 143.87 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.555 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -104.26 114.58 64.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -75.01 66.68 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.555 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.5 m-85 -36.84 -58.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 69.8 mmtt -47.88 -42.59 27.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.3 m-85 -78.5 -22.55 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' TYR . 96.4 mt -78.01 -56.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.7 mtm -69.16 -22.89 63.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.415 ' ND1' HD12 ' A' ' 85' ' ' LEU . 20.0 m-70 -130.17 68.39 81.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.19 15.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -36.93 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 5.6 mp0 -84.04 -52.19 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mt -112.42 121.28 44.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -152.37 -177.68 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.456 HG23 ' CD2' ' A' ' 55' ' ' LEU . 74.2 t -128.09 143.6 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 77' ' ' GLN . 15.3 m -123.52 151.11 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.35 -25.3 27.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.2 mt -42.09 155.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 0.761 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 -170.26 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 141.42 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.61 29.74 76.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.479 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -144.36 141.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.59 -149.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.456 ' CD2' HG23 ' A' ' 46' ' ' VAL . 28.3 tp -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.7 mtt180 -158.89 166.09 32.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -45.32 132.83 5.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.0 Cg_endo -75.08 52.96 3.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -151.54 -45.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.67 -19.71 17.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 77.0 m-85 -84.0 179.45 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -114.85 154.76 16.78 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.67 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.44 -52.28 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 2.8 mttp -60.76 -59.56 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 86.9 mt -39.76 -50.03 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -55.87 -59.27 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -40.34 -63.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.6 mt -40.96 -60.26 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 87.7 mt -51.77 -46.12 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.32 -22.42 66.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.68 25.21 12.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.455 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 84.8 p -60.14 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -42.11 -41.97 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -68.91 -53.59 20.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' A' ' 75' ' ' SER . 6.4 mt -40.62 152.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 25.5 tt0 -170.25 126.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -86.22 100.4 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -86.93 130.92 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.8 mm -109.99 130.76 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.14 -41.32 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -139.73 95.0 8.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.97 20.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -59.41 -21.32 59.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.233 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.415 HD12 ' ND1' ' A' ' 40' ' ' HIS . 78.6 mt -73.54 -44.63 57.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.425 ' CD2' ' HG2' ' A' ' 33' ' ' PRO . 71.3 mt -43.82 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 34.5 p 40.32 72.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.89 135.83 21.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.98 124.47 0.72 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.7 p -163.68 160.8 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.51 139.08 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.1 111.8 0.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 159.5 41.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.17 146.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 131.5 80.1 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 65.4 6.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.08 126.05 31.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.6 124.69 50.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -61.44 145.31 52.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.58 168.74 10.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.044 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.78 65.82 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.52 164.16 19.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 p -84.98 74.92 10.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.28 -1.52 57.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 21.8 mt -61.8 -47.62 84.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -40.54 -56.33 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -56.17 -45.06 79.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.87 -53.16 60.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 93.0 t -48.93 -56.89 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -43.0 -56.47 3.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 18' ' ' THR . 30.8 tp -54.35 -47.94 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 38.3 tp -53.17 -63.29 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -54.95 -58.59 7.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -50.15 -48.04 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -60.33 -53.47 57.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.466 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 6.7 mmt180 -51.44 -46.48 63.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.59 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -51.55 -47.5 63.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -46.33 -49.57 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -58.12 -32.3 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -71.38 -12.49 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.459 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.6 pt -122.67 2.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.09 29.69 62.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.0 mt -103.46 143.57 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 0.78 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.42 -37.94 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 4.9 pt-20 -83.15 159.64 61.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.5 17.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.5 t -121.24 166.05 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.59 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 15.5 mttt -67.57 147.64 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.532 HG13 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -107.71 115.7 58.65 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.0 67.05 5.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.532 ' CD1' HG13 ' A' ' 32' ' ' VAL . 22.8 m-85 -37.48 -60.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 75.1 mmtt -46.86 -44.03 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CB ' HD22 ' A' ' 55' ' ' LEU . 37.1 m-85 -77.24 -23.65 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 93.9 mt -77.77 -56.23 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.52 -23.02 64.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 40.3 m-70 -130.03 68.81 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.635 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.52 20.66 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -37.93 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.8 mp0 -84.12 -53.01 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.407 ' CD1' HD23 ' A' ' 86' ' ' LEU . 2.7 mt -112.31 117.43 32.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.548 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.7 p90 -148.13 179.91 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.466 HG23 ' CD2' ' A' ' 55' ' ' LEU . 70.2 t -126.31 139.65 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' GLN . 18.3 m -120.46 153.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 101.49 -27.27 21.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 48' ' ' GLY . 26.3 mt -40.38 155.53 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.01 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -84.9 138.21 32.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.68 70.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 11.4 mt -144.52 139.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.6 -151.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' CD2' HG23 ' A' ' 46' ' ' VAL . 37.8 tp -101.97 90.55 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 1.9 mtt180 -135.31 161.47 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.05 145.9 31.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.497 ' O ' ' CD ' ' A' ' 9' ' ' ARG . 18.3 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -150.58 -46.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 52.6 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 108.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 1.1 m-85 -139.06 -86.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.21 151.42 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.32 -63.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -40.29 -60.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 16.8 mttt -55.54 -59.86 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 78.4 mt -39.35 -50.71 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.6 mtt-85 -59.28 -57.36 13.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -39.85 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 68' ' ' LYS . 18.2 mt -39.15 -56.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.0 mt -53.41 -48.05 69.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.4 -18.84 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.46 20.74 15.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.443 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 32.8 p -55.23 -47.06 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -60.5 -50.83 71.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.4 m -60.49 -46.91 88.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.5 mt -45.09 150.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.6 tt0 -170.51 125.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.5 m-85 -87.77 100.65 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.548 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 70.4 t -87.45 131.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.6 mm -109.42 131.01 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.84 -37.55 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -143.73 95.04 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -15.24 20.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.31 -23.37 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.2 mt -69.75 -46.12 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.407 HD23 ' CD1' ' A' ' 44' ' ' LEU . 46.5 mt -43.6 -34.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.2 p -95.22 -140.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.453 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 51.53 61.21 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.531 ' O ' ' CG1' ' A' ' 90' ' ' VAL . . . 109.34 -170.7 14.63 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.531 ' CG1' ' O ' ' A' ' 89' ' ' GLY . 0.3 OUTLIER 86.69 155.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -147.5 152.29 37.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 12.1 pt-20 -81.74 114.29 49.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.37 35.36 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.56 1.821 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.96 129.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 144.11 -179.92 21.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 157.21 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.12 111.25 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.8 m 55.71 169.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -75.4 118.49 18.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.038 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.8 p -68.33 -60.52 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.67 170.18 45.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -72.06 139.8 48.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.791 . . . . 0.0 110.036 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t 52.4 74.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.32 -4.94 52.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 34.4 mt -57.02 -46.37 82.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 50.8 mtm-85 -38.76 -57.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -54.64 -42.27 71.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.374 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.4 mt-30 -64.18 -59.58 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 85.0 t -44.3 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.19 -54.2 2.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -56.03 -45.87 79.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -56.79 -69.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -44.43 -47.79 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 4.0 m120 -62.69 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -39.5 -40.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -65.99 -49.95 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 29.7 t80 -49.72 -47.19 50.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.54 -49.82 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -58.92 -28.5 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -75.0 -19.54 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.465 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.6 pt -114.69 8.82 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.56 32.86 82.83 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -102.77 145.71 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.51 -37.78 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.5 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 1.0 OUTLIER -85.73 161.41 50.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.02 137.94 22.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.434 1.755 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 70.9 t -127.69 164.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 3.2 mmmt -61.23 -175.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.0 t -142.9 117.08 6.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.521 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -75.01 67.06 6.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.437 ' O ' ' N ' ' A' ' 37' ' ' PHE . 22.0 m-85 -36.89 -58.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.07 -55.55 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.3 mmtt -48.65 -42.05 33.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' TYR . 34.3 m-85 -79.1 -22.21 45.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -79.37 -56.69 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -69.08 -22.37 64.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' HD12 ' A' ' 85' ' ' LEU . 33.9 m-70 -130.6 68.73 81.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.76 21.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -46.66 9.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.5 mt-10 -78.05 -51.62 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.444 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 2.0 mt -111.41 116.15 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.536 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.7 p90 -147.66 179.41 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 24.3 t -123.33 146.2 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.9 m -129.47 151.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -26.3 25.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 33.2 mt -41.08 153.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.484 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.78 139.0 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.19 29.79 71.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.484 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.9 mt -146.77 142.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.59 -151.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.953 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.8 tp -102.36 111.23 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.5 mtt180 -159.72 168.49 25.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -52.95 135.37 47.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 55.55 3.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -144.69 -47.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.68 -32.83 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 86.7 m-85 -68.45 160.66 29.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -100.43 156.26 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.76 -57.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.36 -49.85 32.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.0 mttt -61.21 -58.37 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 88.4 mt -40.03 -52.71 2.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -53.81 -56.17 19.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -62.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.441 HG23 ' CD1' ' A' ' 76' ' ' ILE . 47.7 mt -42.92 -58.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.75 -46.44 64.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.63 -22.05 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.28 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.437 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 88.5 p -66.91 -67.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -45.02 -34.15 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -78.31 -43.93 26.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.441 ' CD1' HG23 ' A' ' 69' ' ' ILE . 2.9 mt -49.49 153.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -170.44 125.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -87.28 98.06 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.536 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -83.1 131.72 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.5 mm -111.92 130.69 65.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -112.98 -43.48 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.433 ' CD ' ' HG2' ' A' ' 43' ' ' GLU . 4.9 mtp85 -137.24 94.75 12.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.64 20.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.16 -26.62 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.523 HD12 ' CG ' ' A' ' 40' ' ' HIS . 45.2 mt -66.81 -43.32 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 33' ' ' PRO . 69.6 mt -43.93 -54.9 4.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.6 p -68.13 86.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.09 68.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.62 138.61 10.23 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.1 t -91.91 136.76 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.766 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 49.72 -171.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.37 76.8 1.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 167.74 26.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.05 145.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.67 151.39 19.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.01 43.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.8 t -146.14 111.16 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.5 t 52.81 87.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.21 135.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t 69.28 152.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.71 -112.02 2.48 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 m 63.24 -176.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 p -52.62 -98.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.29 -7.85 50.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 37.5 mt -67.42 -41.42 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.9 mtm-85 -38.03 -62.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -49.8 -44.32 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 8' ' ' LEU . 8.3 mt-30 -62.13 -54.2 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 95.4 t -52.45 -49.23 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -48.46 -53.67 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -55.38 -46.48 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.477 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 33.8 tp -54.79 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -56.06 -55.62 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -52.13 -46.95 65.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.8 m -61.67 -60.3 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.4 mmt180 -42.33 -48.95 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.9 t80 -50.12 -46.69 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.03 -50.77 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.49 -28.99 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 20' ' ' TYR . . . -74.3 -17.14 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.446 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -117.4 3.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.43 30.59 62.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.414 ' CD1' HD12 ' A' ' 24' ' ' ILE . 1.9 mt -102.99 147.5 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -38.96 16.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 4.9 pt-20 -85.99 164.07 40.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 139.82 24.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 56.0 t -126.61 165.85 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 27.4 mtmt -69.41 144.8 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.557 HG11 ' CD1' ' A' ' 34' ' ' TYR . 4.1 t -105.68 117.72 57.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.492 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -75.03 65.19 6.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.557 ' CD1' HG11 ' A' ' 32' ' ' VAL . 17.2 m-85 -35.28 -56.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -55.12 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 11.9 mmtt -49.36 -41.11 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.1 m-85 -79.36 -21.97 45.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.4 mt -79.48 -57.06 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.3 mtm -69.2 -23.03 63.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' CG ' HD13 ' A' ' 85' ' ' LEU . 11.0 m-70 -130.86 68.59 81.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.62 14.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -32.22 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.0 mp0 -87.96 -51.88 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 3.0 mt -113.24 120.81 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 41.4 p90 -150.92 -177.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.463 HG22 ' CD2' ' A' ' 55' ' ' LEU . 89.1 t -130.08 140.51 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.434 ' O ' ' N ' ' A' ' 77' ' ' GLN . 15.8 m -120.19 152.67 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.11 -24.18 32.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 25.8 mt -42.41 155.47 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -176.08 2.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.9 137.29 36.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.69 32.23 74.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.48 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 12.0 mt -147.96 139.51 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.73 -151.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD2' ' CD2' ' A' ' 37' ' ' PHE . 22.4 tp -99.61 112.87 25.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 15.8 mtt85 -163.11 170.53 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 142.33 84.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.482 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.95 1.61 7.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -100.53 10.25 41.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.55 13.31 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 44.4 m-85 -121.78 136.35 54.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.24 50.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.64 -56.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.68 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -61.84 -59.66 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 81.9 mt -41.31 -51.97 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 71' ' ' GLU . 11.6 mtp180 -55.47 -59.46 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.52 -64.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.2 mt -44.88 -51.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.0 mt -58.56 -35.62 72.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' LYS . 5.0 mt-10 -73.7 -22.45 59.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.32 26.74 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.477 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.61 -61.17 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -49.43 -42.13 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -66.94 -47.89 70.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.4 mt -46.75 153.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' VAL . 24.9 tt0 -170.46 126.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -87.15 97.88 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.7 t -83.19 131.51 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mm -111.38 130.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.59 -42.6 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 mtp85 -136.57 94.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.96 21.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.64 -21.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.402 HD13 ' CG ' ' A' ' 40' ' ' HIS . 95.7 mt -70.62 -44.01 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 64.5 mt -43.83 -63.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -81.33 88.87 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -149.99 70.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.43 138.09 2.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.9 t -110.44 109.55 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -110.46 94.16 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.167 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -119.09 88.79 37.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 72.38 4.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.458 1.768 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.3 t -169.27 109.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 59.93 -167.25 9.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 153.34 41.93 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.5 m -55.16 134.1 49.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.8 p -178.17 161.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.958 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -169.65 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.051 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.64 118.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.99 179.6 21.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 m 58.74 161.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.436 ' OG ' ' NH1' ' A' ' 9' ' ' ARG . 53.6 p -74.4 74.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.1 -0.99 62.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 25.0 mt -60.04 -43.78 95.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 66.5 mtm-85 -38.06 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -52.99 -48.82 67.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -54.94 -54.35 43.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 86.4 t -48.99 -53.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -45.29 -54.97 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.0 tp -54.87 -45.97 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 38.4 tp -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -53.79 -55.21 28.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -53.56 -50.59 65.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 27.9 m -57.25 -52.24 66.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -51.37 -48.4 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -50.48 -44.51 55.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -50.08 -49.86 49.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -57.77 -29.29 64.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.23 -19.88 60.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -115.31 8.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.29 31.75 78.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -103.48 145.25 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -38.41 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -84.58 161.9 52.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 136.72 20.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.5 t -123.56 165.89 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 10.2 mtmm -68.29 147.67 51.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.522 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -107.77 117.47 55.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 69.11 5.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.522 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.3 m-85 -39.07 -60.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.4 m -39.98 -56.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.948 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.523 ' CD ' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -46.09 -45.29 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' TYR . 36.2 m-85 -76.17 -24.25 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.8 mt -76.35 -55.46 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.03 -22.96 63.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.476 ' CG ' HD11 ' A' ' 85' ' ' LEU . 65.5 m-70 -131.1 68.02 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.599 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.34 14.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' CB ' ' OE2' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -81.94 -34.38 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' CB ' HD13 ' A' ' 85' ' ' LEU . 2.5 mp0 -86.81 -49.28 7.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 86' ' ' LEU . 3.2 mt -115.19 118.06 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -147.59 -177.86 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 42.8 t -125.15 141.71 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.78 146.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -28.71 13.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.3 mt -41.9 153.83 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.492 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.03 -177.93 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.48 145.03 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.86 29.89 76.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.492 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -145.6 138.54 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.415 ' O ' ' CG ' ' A' ' 56' ' ' ARG . 61.2 tp -107.6 110.83 22.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 26.5 mtt180 -162.62 158.54 23.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 5.3 mtt180 -43.03 139.55 2.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.99 52.52 3.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -139.26 -45.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.39 53.38 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 58.4 m-85 -147.05 178.82 8.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -110.52 148.9 17.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.04 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.46 29.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 32.2 mttt -55.97 -62.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.411 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 76.2 mt -40.13 -49.21 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -60.55 -57.48 12.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -64.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.461 HG23 ' CD1' ' A' ' 76' ' ' ILE . 60.1 mt -44.22 -53.72 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.6 mt -56.59 -41.55 77.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.69 -23.65 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.66 23.08 14.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.441 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 89.8 p -57.19 -67.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.33 -44.84 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -66.69 -49.32 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.461 ' CD1' HG23 ' A' ' 69' ' ' ILE . 6.6 mt -45.48 150.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -170.5 126.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -84.85 98.88 10.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.6 t -84.14 130.89 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.8 mm -110.45 130.29 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.95 -49.91 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -131.61 95.58 23.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.92 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -19.25 65.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.476 HD11 ' CG ' ' A' ' 40' ' ' HIS . 23.5 mt -71.12 -45.24 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.523 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 31.0 mt -40.19 -50.74 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.7 p -83.0 -142.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.43 67.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.43 60.17 7.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.2 t 63.09 130.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.756 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.39 126.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -97.01 153.87 38.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 80.54 2.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.4 p -157.49 103.66 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.29 108.1 0.81 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 158.79 41.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.11 137.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 t -120.13 169.55 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.26 -57.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 p -142.1 148.01 37.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.1 -92.68 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.6 133.6 42.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.739 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -75.39 74.96 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.38 -5.56 49.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.582 1.176 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 29.7 mt -58.02 -47.53 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mtm105 -36.96 -58.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -54.78 -47.01 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.9 mt-30 -59.36 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 93.9 t -51.76 -56.17 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -42.44 -51.5 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 18' ' ' THR . 42.9 tp -57.53 -44.62 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 ' CD1' ' HB2' ' A' ' 73' ' ' SER . 34.9 tp -57.9 -64.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -53.78 -50.87 65.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -57.57 -49.72 75.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 23.0 m -58.02 -49.99 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 -55.12 -45.75 75.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 26.2 t80 -52.53 -45.14 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -49.08 -49.52 41.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -57.88 -30.27 65.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.68 -16.14 61.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.247 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.453 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 24.1 pt -119.59 8.4 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.18 32.81 81.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.9 mt -105.94 143.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -38.2 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 5.8 pt-20 -83.24 159.95 60.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.45 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 31' ' ' LYS . 55.7 t -121.65 165.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.3 mtmt -68.29 150.79 47.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.451 ' CG2' ' HB2' ' A' ' 20' ' ' TYR . 3.1 t -112.04 117.9 47.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.48 ' HB2' ' CG ' ' A' ' 36' ' ' LYS . 18.3 Cg_endo -74.97 68.15 5.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.439 ' CD1' HG11 ' A' ' 32' ' ' VAL . 20.9 m-85 -36.6 -58.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -41.4 -56.48 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 5.4 mmtp -47.36 -43.56 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.407 ' CB ' HD23 ' A' ' 55' ' ' LEU . 35.2 m-85 -77.62 -23.07 49.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -78.73 -57.77 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.4 mtm -68.23 -23.25 64.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.437 ' CG ' HD12 ' A' ' 85' ' ' LEU . 21.9 m-70 -130.32 69.04 81.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -38.38 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.2 mp0 -83.1 -52.8 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 36' ' ' LYS . 3.0 mt -112.0 119.29 37.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.587 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 39.0 p90 -150.03 -178.43 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG23 ' CD2' ' A' ' 55' ' ' LEU . 73.4 t -128.64 138.58 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 77' ' ' GLN . 17.7 m -118.65 155.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.65 -23.19 37.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 76' ' ' ILE . 24.9 mt -44.71 153.74 0.46 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.486 ' HG2' ' CD1' ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 141.57 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 29.92 75.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.486 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.75 141.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.9 -150.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.464 ' CD2' HG23 ' A' ' 46' ' ' VAL . 23.1 tp -103.81 112.87 26.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.532 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 12.3 mtt85 -160.97 167.22 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.15 132.9 9.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.96 63.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.86 -43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.4 m -59.04 -22.37 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.314 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.532 ' CE1' ' HB2' ' A' ' 56' ' ' ARG . 88.3 m-85 -78.8 178.03 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.74 154.2 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -41.79 -57.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 -50.24 22.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -60.52 -60.16 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.446 ' HB2' ' CD1' ' A' ' 8' ' ' LEU . 84.3 mt -39.55 -48.03 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -59.41 -57.87 11.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -62.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.406 HG21 ' CD1' ' A' ' 76' ' ' ILE . 83.6 mt -45.77 -52.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.5 mt -56.66 -39.42 73.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.44 -24.72 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.31 30.54 6.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.459 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.16 -63.55 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -45.57 -43.94 12.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.455 ' CD1' HD21 ' A' ' 49' ' ' LEU . 9.2 mt -46.1 155.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' VAL . 22.1 tt0 -170.36 129.14 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -90.33 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.587 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.3 t -84.36 132.18 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.1 mm -112.82 130.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -112.95 -44.75 3.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -133.75 93.08 21.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.63 21.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' O ' ' CG2' ' A' ' 87' ' ' THR . 11.0 pt-20 -60.12 -22.39 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.437 HD12 ' CG ' ' A' ' 40' ' ' HIS . 73.2 mt -70.13 -45.36 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.446 ' O ' ' NZ ' ' A' ' 36' ' ' LYS . 60.0 mt -46.03 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 84' ' ' GLU . 37.2 p 36.5 61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.62 166.77 22.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.94 134.91 4.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p -66.21 134.06 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 0.79 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.16 157.34 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.371 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -169.28 92.23 0.56 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.1 22.67 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.71 147.74 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -131.36 -166.69 11.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.94 2.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 m 62.78 142.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.01 103.65 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.508 ' HB2' HD13 ' A' ' 66' ' ' LEU . 27.0 mt -61.4 -45.3 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 22.6 mtm180 -38.1 -58.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -55.35 -48.5 74.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.486 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -57.09 -54.11 50.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.62 HG21 HD22 ' A' ' 66' ' ' LEU . 84.6 t -49.72 -57.15 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 34.9 tp -57.09 -46.34 82.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -55.62 -64.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -51.92 -56.81 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m120 -53.43 -55.71 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -50.71 -50.3 55.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -55.63 -47.88 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 86' ' ' LEU . 26.5 t80 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.6 -50.27 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.98 -28.24 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.688 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.47 -16.45 60.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.54 HD11 HG21 ' A' ' 30' ' ' VAL . 22.8 pt -118.2 3.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.34 29.79 65.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -100.86 149.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -39.06 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.9 pt-20 -86.68 165.68 31.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.0 Cg_endo -75.0 138.93 23.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 26' ' ' ILE . 55.1 t -124.87 165.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' N ' HG12 ' A' ' 30' ' ' VAL . 4.3 mtmp? -68.99 149.83 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.4 t -114.52 116.01 44.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.629 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 70.98 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.5 m-85 -37.32 -59.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 p -40.73 -56.28 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 10.0 mmtt -47.51 -42.8 23.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.5 m-85 -78.64 -22.88 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.4 mt -79.07 -57.53 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.4 mtm -68.41 -22.84 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.981 ' CG ' HD13 ' A' ' 85' ' ' LEU . 13.7 m80 -130.36 68.9 81.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.7 14.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -27.98 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -92.15 -54.51 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.1 mt -113.28 118.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.9 p90 -149.76 -179.87 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 55' ' ' LEU . 83.1 t -125.79 139.58 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG22 HG23 ' A' ' 79' ' ' VAL . 17.2 m -119.69 153.75 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.8 -26.26 25.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 76' ' ' ILE . 37.8 mt -41.23 154.92 0.22 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.973 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -173.07 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -81.94 141.6 33.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.5 29.72 75.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.973 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.87 142.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.94 -151.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 46' ' ' VAL . 27.7 tp -100.76 118.61 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt180 -168.3 168.29 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 1.3 mtt180 -51.63 135.29 34.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.521 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.79 3.46 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.432 1.753 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -146.04 -46.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.31 -29.4 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 85.4 m-85 -73.37 169.11 17.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -105.38 153.97 17.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.05 -57.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.12 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -60.8 -58.56 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.62 HD22 HG21 ' A' ' 12' ' ' VAL . 85.9 mt -40.09 -51.94 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' GLU . 95.2 mtt-85 -55.76 -57.55 11.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -40.33 -59.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.878 HG23 HD11 ' A' ' 76' ' ' ILE . 22.7 mt -50.48 -51.67 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 11' ' ' GLN . 64.7 mt -57.41 -33.04 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.6 mt-10 -76.19 -25.64 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.59 27.77 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.682 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.91 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.004 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -47.63 -39.73 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.7 m -71.27 -47.39 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.878 HD11 HG23 ' A' ' 69' ' ' ILE . 7.8 mt -47.04 153.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.2 tt0 -170.41 130.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 32' ' ' VAL . 5.5 m-85 -91.7 99.07 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.3 t -85.66 130.74 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.688 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.3 mm -108.89 131.03 60.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 -42.5 3.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 44' ' ' LEU . 8.8 mtp85 -136.92 93.82 13.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.85 20.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.73 -23.76 60.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.981 HD13 ' CG ' ' A' ' 40' ' ' HIS . 82.3 mt -68.53 -45.38 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.648 HD21 HD13 ' A' ' 44' ' ' LEU . 27.9 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 70' ' ' LEU . 33.1 mt -58.04 -45.89 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -39.01 -58.72 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.3 -44.66 72.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.475 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.1 mt-30 -61.97 -60.0 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.554 HG21 HD22 ' A' ' 66' ' ' LEU . 97.1 t -44.15 -56.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -41.31 -52.1 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.6 tp -58.02 -45.3 87.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.692 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.6 tp -56.22 -60.32 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.17 -52.8 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.0 m120 -55.54 -44.73 77.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 19.4 m -61.9 -61.98 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -44.48 -45.17 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.4 t80 -52.0 -44.76 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.31 -49.92 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -58.33 -29.54 66.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.655 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.57 -13.17 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.1 pt -122.13 3.95 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.46 28.63 67.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 30' ' ' VAL . 2.1 mt -101.5 146.75 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 -38.84 16.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.4 pt-20 -85.94 166.01 31.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -75.03 139.61 24.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.676 HG21 HD12 ' A' ' 26' ' ' ILE . 55.1 t -126.49 165.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.9 mtmp? -66.22 145.33 55.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.641 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -109.55 115.83 55.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.96 63.99 5.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.641 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.9 m-85 -36.49 -62.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.7 m -39.0 -54.51 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.3 mmmt -48.63 -46.18 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' HB3' HD23 ' A' ' 55' ' ' LEU . 36.2 m-85 -73.52 -21.06 60.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.75 -56.04 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 74.7 mtm -70.24 -22.24 62.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.818 ' CG ' HD13 ' A' ' 85' ' ' LEU . 24.3 m-70 -131.11 67.89 81.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -19.6 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 85' ' ' LEU . 6.1 mp0 -100.94 -51.65 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.762 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.0 mt -116.52 114.97 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 29.4 p90 -145.24 -178.92 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.723 HG23 HD22 ' A' ' 55' ' ' LEU . 92.8 t -126.42 140.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 79' ' ' VAL . 16.1 m -119.77 152.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.6 -25.85 26.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 76' ' ' ILE . 34.2 mt -40.85 155.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.968 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -87.05 139.15 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.07 29.73 74.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.968 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.6 mt -144.68 142.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.443 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -136.71 -151.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.723 HD22 HG23 ' A' ' 46' ' ' VAL . 33.8 tp -100.46 115.29 29.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 11.0 mtt85 -167.76 164.36 14.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.46 134.19 5.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.517 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 51.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -143.73 -46.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -56.55 -26.51 55.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CE1' HG23 ' A' ' 53' ' ' ILE . 97.3 m-85 -79.33 159.67 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -96.74 156.62 21.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.83 -60.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.52 -45.91 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.81 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 12' ' ' VAL . 79.3 mt -40.09 -50.87 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -56.4 -56.17 24.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.18 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.53 -59.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.811 HG23 ' CD1' ' A' ' 76' ' ' ILE . 37.4 mt -50.36 -55.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.5 HD12 HD22 ' A' ' 8' ' ' LEU . 59.2 mt -52.87 -35.13 57.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -26.06 60.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.21 27.76 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.692 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.74 -67.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' N ' ' OG ' ' A' ' 73' ' ' SER . 65.1 m-80 -45.36 -35.86 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -72.9 -47.27 47.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.811 ' CD1' HG23 ' A' ' 69' ' ' ILE . 11.2 mt -48.85 155.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -170.51 131.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -91.7 99.31 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.8 t -86.74 131.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.655 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.9 mm -109.05 130.87 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 -35.55 5.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.762 ' O ' HD21 ' A' ' 44' ' ' LEU . 7.4 mtt180 -144.9 94.69 5.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -15.86 20.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.21 -25.88 64.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.818 HD13 ' CG ' ' A' ' 40' ' ' HIS . 76.2 mt -67.05 -51.18 57.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.688 HD21 HD13 ' A' ' 44' ' ' LEU . 53.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.7 mt -56.59 -49.14 75.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 15.1 mtm180 -38.35 -54.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 mt-30 -62.4 -53.86 48.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 58' ' ' PRO . 88.5 t -48.05 -53.0 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -46.8 -54.45 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' THR . 43.0 tp -55.48 -46.11 76.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.665 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.8 tp -54.71 -56.94 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -61.53 -56.71 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.8 m120 -51.81 -43.52 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 31.2 m -64.59 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -43.28 -44.32 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 22.9 t80 -52.94 -45.71 67.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.7 -49.04 20.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -58.25 -32.04 67.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.694 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -71.52 -14.96 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 19.8 pt -120.37 4.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.06 31.47 69.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.615 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -101.83 150.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.25 -35.26 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -90.14 164.08 29.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 136.38 20.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.615 HG21 HD12 ' A' ' 26' ' ' ILE . 55.2 t -122.59 165.35 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.597 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.8 mtmt -65.9 147.11 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -111.0 115.91 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.617 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.02 66.1 6.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.569 ' CD1' HG12 ' A' ' 32' ' ' VAL . 21.1 m-85 -36.29 -57.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -42.48 -56.43 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 15.7 mmtt -46.87 -43.81 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.489 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.2 m-85 -76.75 -23.54 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.7 mt -78.84 -56.97 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.8 mtm -68.96 -22.8 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.906 ' CG ' HD13 ' A' ' 85' ' ' LEU . 22.8 m-70 -130.61 68.67 81.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -35.12 27.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.41 -53.43 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.2 mt -111.7 118.53 35.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 33.7 p90 -148.89 -178.67 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.829 HG23 HD22 ' A' ' 55' ' ' LEU . 77.9 t -128.88 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 79' ' ' VAL . 17.3 m -119.0 155.7 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.08 -22.13 42.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 76' ' ' ILE . 26.1 mt -47.83 154.79 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.979 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -176.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.99 142.59 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.17 29.8 76.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.979 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.02 142.42 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.31 -153.01 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.829 HD22 HG23 ' A' ' 46' ' ' VAL . 32.3 tp -101.14 116.92 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 19.0 mtt85 -167.72 165.68 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.44 138.13 50.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 56.8 4.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.462 ' CG ' ' N ' ' A' ' 60' ' ' CYS . 15.8 p-10 -138.87 -46.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.462 ' N ' ' CG ' ' A' ' 59' ' ' ASN . 37.6 t -64.28 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.332 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.655 ' CE1' HG23 ' A' ' 53' ' ' ILE . 96.5 m-85 -69.84 160.95 30.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.54 157.13 17.65 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.22 -56.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.39 16.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -59.63 -56.98 15.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.483 HD22 HG21 ' A' ' 12' ' ' VAL . 86.8 mt -40.18 -50.02 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -59.43 -56.96 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.01 -65.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.693 HG23 ' CD1' ' A' ' 76' ' ' ILE . 43.1 mt -43.54 -53.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.432 HD12 HD22 ' A' ' 8' ' ' LEU . 80.8 mt -55.69 -39.14 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -70.68 -20.76 62.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.48 25.68 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.665 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.01 -67.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -43.82 -43.16 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -64.62 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.7 HD11 HD23 ' A' ' 49' ' ' LEU . 11.6 mt -46.76 155.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.7 tt0 -170.31 127.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -89.26 99.46 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -85.86 130.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.694 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.5 mm -109.89 131.02 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.6 -44.95 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.778 ' O ' HD21 ' A' ' 44' ' ' LEU . 23.0 mtt180 -135.92 94.63 14.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.91 20.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.15 -25.63 59.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.906 HD13 ' CG ' ' A' ' 40' ' ' HIS . 53.4 mt -67.6 -45.05 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.617 HD22 ' CG ' ' A' ' 33' ' ' PRO . 75.8 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' A' ' 66' ' ' LEU . 33.7 mt -52.41 -48.05 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -38.26 -59.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -52.54 -42.14 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.3 mt-30 -65.22 -51.18 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG21 HD22 ' A' ' 66' ' ' LEU . 94.5 t -52.24 -51.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.57 -51.01 12.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.6 tp -58.65 -46.38 87.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.6 tp -55.22 -60.02 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -57.04 -56.96 14.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.3 m120 -52.54 -48.43 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 35.9 m -59.25 -54.54 45.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 49.0 mmt-85 -50.09 -46.09 53.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -52.06 -45.05 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.16 -48.74 34.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -59.67 -28.4 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.665 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.93 -17.76 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.48 HD11 HG21 ' A' ' 30' ' ' VAL . 21.4 pt -116.48 3.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 71.7 30.04 66.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 30' ' ' VAL . 1.8 mt -98.74 154.51 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.429 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 1.3 p -92.65 -35.87 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.563 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.6 mm-40 -91.06 165.65 21.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.5 21.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 26' ' ' ILE . 55.9 t -124.05 165.85 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 11.7 mtmt -67.41 148.19 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.537 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -111.45 117.05 49.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.01 66.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.537 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.0 m-85 -35.95 -56.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 3.1 m -43.28 -56.47 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.6 mmtt -46.76 -43.02 17.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.526 ' HB3' HD23 ' A' ' 55' ' ' LEU . 33.7 m-85 -77.51 -24.3 50.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.4 mt -76.38 -54.02 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.2 mtm -72.02 -22.41 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.949 ' CG ' HD13 ' A' ' 85' ' ' LEU . 63.7 m-70 -132.16 66.38 77.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.635 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.9 20.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.27 -48.36 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.7 mm-40 -79.87 -51.04 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' O ' ' A' ' 82' ' ' ARG . 5.6 mt -105.69 107.06 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.0 p90 -143.86 -178.4 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.63 HG23 HD22 ' A' ' 55' ' ' LEU . 96.1 t -127.83 144.97 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 79' ' ' VAL . 14.4 m -123.7 153.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.33 -26.86 23.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.75 HD23 HD11 ' A' ' 76' ' ' ILE . 27.9 mt -43.58 153.78 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.944 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 172.72 15.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.5 140.32 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.55 29.8 71.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.944 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -148.34 142.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.08 -151.14 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.63 HD22 HG23 ' A' ' 46' ' ' VAL . 41.0 tp -101.12 118.24 36.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 18.4 mtt180 -167.24 166.98 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.69 134.85 26.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.07 56.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -145.69 -47.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.1 t -58.39 -35.67 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CE1' HG23 ' A' ' 53' ' ' ILE . 94.4 m-85 -65.58 164.73 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.68 155.27 17.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.62 -56.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.78 -50.99 31.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.6 mttt -59.39 -59.13 5.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 12' ' ' VAL . 86.3 mt -39.9 -52.56 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' GLU . 6.3 mtt180 -54.36 -59.15 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -61.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.894 HG23 HD11 ' A' ' 76' ' ' ILE . 65.0 mt -48.6 -54.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.5 mt -55.76 -33.79 64.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.9 mt-10 -75.69 -26.8 57.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.55 24.34 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.27 -63.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -46.19 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -65.8 -45.65 81.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.894 HD11 HG23 ' A' ' 69' ' ' ILE . 8.5 mt -48.1 153.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.9 tt0 -170.46 131.65 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -92.51 98.2 11.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.5 t -84.37 130.72 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.665 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.3 mm -109.1 130.92 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -115.09 -41.89 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.775 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -134.93 92.51 18.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.06 20.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.71 -25.57 64.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.949 HD13 ' CG ' ' A' ' 40' ' ' HIS . 77.0 mt -68.16 -47.07 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' A' ' 33' ' ' PRO . 74.5 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 23.4 mt -62.15 -46.16 90.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.32 -52.56 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -60.29 -43.18 96.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.7 mt-30 -64.23 -60.07 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.593 HG21 HD22 ' A' ' 66' ' ' LEU . 97.3 t -42.81 -59.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -43.59 -54.45 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.525 HD11 ' HG3' ' A' ' 29' ' ' PRO . 23.2 tp -55.11 -46.15 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.576 HD21 HD12 ' A' ' 76' ' ' ILE . 37.6 tp -55.65 -68.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -46.43 -53.79 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.3 m120 -57.6 -42.31 82.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 15.9 m -62.77 -55.02 30.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 20.7 mmm180 -51.22 -44.28 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.3 t80 -53.01 -44.51 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.44 24.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -59.66 -28.57 67.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.72 -18.45 60.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.477 HD11 HG21 ' A' ' 30' ' ' VAL . 21.9 pt -115.16 1.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.46 29.31 64.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.78 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -97.44 156.65 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.1 p -93.09 -38.79 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -91.12 169.7 11.11 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.525 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 142.97 28.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.78 HG21 HD12 ' A' ' 26' ' ' ILE . 55.0 t -130.19 165.99 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 12.6 mtmt -69.84 144.33 52.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -104.83 116.98 59.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.0 65.28 6.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.561 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.4 m-85 -36.32 -59.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.1 m -40.93 -56.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 51.3 mmtt -46.48 -44.68 17.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -76.28 -23.95 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.9 mt -75.67 -59.24 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -67.62 -23.25 65.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.891 ' CG ' HD13 ' A' ' 85' ' ' LEU . 10.1 m80 -129.57 69.35 81.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -26.95 10.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -31.27 56.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.64 -54.07 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.5 mt -113.7 120.76 41.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 31.5 p90 -148.61 178.77 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.903 HG23 HD22 ' A' ' 55' ' ' LEU . 67.5 t -122.63 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.55 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.5 m -129.39 146.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.85 -24.0 29.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.7 mt -43.99 153.35 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.983 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 166.68 28.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.86 142.12 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.06 29.99 70.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.983 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.7 mt -148.14 142.16 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.93 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.903 HD22 HG23 ' A' ' 46' ' ' VAL . 24.3 tp -105.04 103.45 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 16.8 mtt180 -151.38 174.38 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.39 146.69 97.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 1.51 7.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.48 23.86 13.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 23.05 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 108.329 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 33.6 m-85 -128.09 179.93 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.68 162.53 13.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -51.47 -68.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.501 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -40.96 -40.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 22.4 mttt -66.71 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.593 HD22 HG21 ' A' ' 12' ' ' VAL . 88.6 mt -39.97 -51.49 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LYS . 6.7 mtt-85 -55.82 -57.67 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.73 -63.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.556 HG23 HD11 ' A' ' 76' ' ' ILE . 57.7 mt -43.01 -54.81 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.7 mt -55.69 -47.52 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.71 -16.77 58.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.98 19.83 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.571 ' HB2' HD13 ' A' ' 15' ' ' LEU . 28.5 p -55.2 -56.55 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -55.08 -49.19 72.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 m -59.0 -47.27 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.576 HD12 HD21 ' A' ' 15' ' ' LEU . 13.7 mt -45.72 155.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.55 ' HB3' HG23 ' A' ' 47' ' ' VAL . 30.9 tt0 -170.79 125.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 6.2 m-85 -89.53 97.25 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -83.24 130.17 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.609 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.2 mm -110.35 130.6 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 -38.19 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.721 ' O ' HD21 ' A' ' 44' ' ' LEU . 26.9 mtp180 -141.64 94.59 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.35 20.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -60.86 -21.13 62.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.891 HD13 ' CG ' ' A' ' 40' ' ' HIS . 91.7 mt -72.1 -43.14 65.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.697 HD21 HD13 ' A' ' 44' ' ' LEU . 25.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.616 ' HB2' HD13 ' A' ' 66' ' ' LEU . 35.9 mt -56.34 -44.53 80.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mtm105 -40.31 -56.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -55.37 -40.44 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HB2' HD11 ' A' ' 70' ' ' LEU . 20.9 mt-30 -65.47 -56.41 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 66' ' ' LEU . 97.2 t -46.2 -52.38 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.87 -57.26 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' A' ' 29' ' ' PRO . 24.9 tp -52.64 -46.94 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.745 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.4 tp -56.75 -72.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -43.08 -52.06 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m-20 -59.4 -43.15 93.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' LEU . 8.7 m -61.35 -55.5 30.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 19.7 mmm180 -50.12 -45.06 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 20.0 t80 -51.53 -46.39 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.84 -49.82 19.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -58.33 -30.05 66.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.719 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.9 -14.9 61.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -120.7 5.77 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.92 30.84 69.91 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -103.08 145.28 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.36 -38.07 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -85.01 163.15 47.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.02 139.31 24.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.504 HG21 HD12 ' A' ' 26' ' ' ILE . 55.7 t -126.58 165.83 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 11.3 mttt -67.91 145.14 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.646 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -105.59 115.12 62.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 63.77 6.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.646 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.3 m-85 -36.23 -61.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 p -39.33 -55.0 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 24.1 mmmt -48.65 -44.52 37.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' TYR . 38.6 m-85 -76.01 -20.76 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -79.66 -56.01 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.19 -22.91 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.711 ' CG ' HD13 ' A' ' 85' ' ' LEU . 31.9 m-70 -130.52 68.69 81.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -23.9 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' HD11 ' A' ' 85' ' ' LEU . 3.0 mp0 -96.49 -53.83 3.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.711 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.2 mt -114.4 115.83 27.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 27.4 p90 -144.21 177.83 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.887 HG23 HD22 ' A' ' 55' ' ' LEU . 46.4 t -121.5 145.07 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 77' ' ' GLN . 3.5 m -129.94 144.81 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.89 21.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -43.45 153.48 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.99 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.97 174.85 12.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.72 141.11 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.04 29.8 72.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.99 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -147.78 138.51 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.94 -150.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.887 HD22 HG23 ' A' ' 46' ' ' VAL . 37.6 tp -106.4 103.5 12.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 15.1 mtt180 -153.79 156.94 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.25 141.25 1.92 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.97 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.85 -45.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 52.48 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.682 ' HE2' HG23 ' A' ' 53' ' ' ILE . 58.7 m-85 -144.79 154.94 43.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -90.33 149.92 20.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.54 -52.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -42.95 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLY . 13.7 mttt -60.37 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 8' ' ' LEU . 81.4 mt -40.47 -51.55 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.7 mtp180 -54.24 -60.04 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -39.14 -58.5 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.807 HG23 HD11 ' A' ' 76' ' ' ILE . 87.9 mt -48.93 -60.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 11' ' ' GLN . 87.5 mt -51.85 -37.28 51.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.01 -29.59 67.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -99.64 13.18 34.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.745 ' HB2' HD13 ' A' ' 15' ' ' LEU . 86.1 p -50.59 -23.31 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -80.34 -55.9 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -59.69 -41.23 90.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.807 HD11 HG23 ' A' ' 69' ' ' ILE . 8.6 mt -45.37 148.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HB3' HG23 ' A' ' 47' ' ' VAL . 29.2 tt0 -170.52 125.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 19' ' ' ARG . 6.9 m-85 -87.59 99.76 12.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.482 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.1 t -86.04 130.39 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.719 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 10.2 mm -110.09 130.83 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.98 -37.12 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.711 ' O ' HD21 ' A' ' 44' ' ' LEU . 6.5 mtt180 -142.81 94.69 6.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.21 -26.26 66.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.711 HD13 ' CG ' ' A' ' 40' ' ' HIS . 33.6 mt -67.57 -49.89 61.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.654 HD21 HD13 ' A' ' 44' ' ' LEU . 52.0 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HB2' HD13 ' A' ' 66' ' ' LEU . 21.7 mt -62.34 -47.1 85.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.1 mtm105 -37.82 -58.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.06 -48.95 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.621 ' HB2' HD11 ' A' ' 70' ' ' LEU . 2.6 mt-30 -56.7 -53.64 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 HD22 ' A' ' 66' ' ' LEU . 95.8 t -51.31 -60.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.49 -50.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 18' ' ' THR . 29.7 tp -58.49 -47.12 85.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.7 tp -54.81 -61.69 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -55.72 -57.2 12.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 2.5 m-80 -52.05 -47.07 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 25.2 m -60.41 -56.91 15.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -49.07 -45.15 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 24.0 t80 -52.29 -45.47 65.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.14 -50.14 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -59.23 -28.46 66.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.738 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.12 -13.13 60.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.0 pt -121.1 -0.85 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 77.61 27.71 58.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.646 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -99.77 150.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.98 -39.04 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -86.8 166.0 29.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.03 139.03 23.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.646 HG21 HD12 ' A' ' 26' ' ' ILE . 54.4 t -125.48 166.03 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.8 mtmp? -66.44 147.58 53.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.601 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -111.63 115.1 51.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.641 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 66.2 6.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.7 m-85 -35.61 -56.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.67 -55.73 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.5 mmtt -48.27 -42.33 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.0 m-85 -78.4 -22.78 47.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.3 mt -78.83 -57.44 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.82 -22.86 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.796 ' CG ' HD13 ' A' ' 85' ' ' LEU . 41.5 m-70 -129.86 69.26 81.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -15.2 21.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.2 -38.77 16.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.7 mp0 -83.17 -54.38 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.7 mt -111.74 117.67 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.9 p90 -149.05 179.5 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 HD22 ' A' ' 55' ' ' LEU . 79.8 t -123.33 140.29 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 79' ' ' VAL . 3.5 m -122.98 149.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 103.86 -27.54 19.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.855 HD23 HD11 ' A' ' 76' ' ' ILE . 17.3 mt -40.51 154.5 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.984 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.08 178.08 7.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 140.57 43.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.65 73.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.984 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.0 mt -147.06 141.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.77 -150.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.79 HD22 HG23 ' A' ' 46' ' ' VAL . 30.4 tp -102.96 111.11 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt-85 -160.96 168.43 24.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -47.28 132.93 9.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.95 56.81 4.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.7 p30 -156.36 -44.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 11.4 t -58.94 -18.09 30.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.362 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 76.5 m-85 -84.48 173.19 11.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -104.55 152.79 17.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.06 -58.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.63 -45.65 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLY . 10.7 mttt -63.5 -61.65 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.562 HD22 HG21 ' A' ' 12' ' ' VAL . 83.2 mt -40.02 -51.79 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -53.25 -59.59 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -39.87 -63.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' A' ' 76' ' ' ILE . 61.4 mt -40.31 -56.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 11' ' ' GLN . 84.0 mt -55.46 -42.27 74.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.7 mt-10 -69.85 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -114.73 27.81 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.662 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -66.0 -67.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -41.4 -37.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -49.1 20.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.855 HD11 HD23 ' A' ' 49' ' ' LEU . 5.0 mt -46.52 153.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -170.59 125.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.96 99.7 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 78.1 t -85.89 129.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.738 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.1 mm -108.4 130.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.42 -38.24 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.769 ' O ' HD21 ' A' ' 44' ' ' LEU . 47.5 mtp180 -141.75 94.27 7.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.47 19.56 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -59.77 -21.99 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.796 HD13 ' CG ' ' A' ' 40' ' ' HIS . 91.3 mt -70.97 -45.96 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.641 HD22 ' HG2' ' A' ' 33' ' ' PRO . 65.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 66' ' ' LEU . 30.2 mt -57.9 -46.75 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' LEU . 13.1 mtm180 -37.98 -57.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -55.64 -46.41 77.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HB2' HD11 ' A' ' 70' ' ' LEU . 2.1 mt-30 -59.78 -55.76 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.609 HG21 HD22 ' A' ' 66' ' ' LEU . 95.9 t -48.12 -54.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.38 -53.51 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -56.19 -46.63 79.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' A' ' 73' ' ' SER . 35.4 tp -55.96 -62.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -55.82 -54.83 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.5 m120 -53.45 -49.51 67.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 22.8 m -58.01 -58.04 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.1 mmt180 -46.18 -48.52 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.562 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -50.09 -45.82 52.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.77 -49.92 27.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -58.69 -29.08 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.75 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.58 -15.56 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.478 HD11 HG21 ' A' ' 30' ' ' VAL . 23.1 pt -119.44 3.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.45 30.49 64.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.576 HD12 HG21 ' A' ' 30' ' ' VAL . 2.1 mt -103.41 145.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -39.05 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 7.6 pt-20 -84.49 163.13 48.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.01 136.57 20.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG21 HD12 ' A' ' 26' ' ' ILE . 55.4 t -122.47 166.01 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 14.2 mtmt -68.0 144.96 54.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.558 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -106.62 115.8 60.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.588 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.99 67.42 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.2 m-85 -37.23 -57.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.24 -54.08 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 52.3 mmtt -50.76 -39.36 52.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.518 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.9 m-85 -81.83 -19.93 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.1 mt -81.45 -54.77 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -71.14 -22.3 62.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.881 ' CG ' HD13 ' A' ' 85' ' ' LEU . 39.3 m-70 -131.8 67.27 79.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.18 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.94 -48.92 9.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 61.9 mm-40 -78.31 -52.2 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.761 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.7 mt -105.63 114.47 28.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 37.1 p90 -149.01 -178.53 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.729 HG23 HD22 ' A' ' 55' ' ' LEU . 80.0 t -127.74 143.47 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.477 HG22 HG23 ' A' ' 79' ' ' VAL . 15.9 m -124.02 152.03 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -23.58 33.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.163 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 76' ' ' ILE . 62.8 mt -44.3 154.53 0.39 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.974 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 -177.77 3.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.62 139.91 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.81 74.02 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.974 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.8 mt -146.31 141.86 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.12 -151.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.729 HD22 HG23 ' A' ' 46' ' ' VAL . 30.4 tp -102.62 115.66 31.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 6.3 mtt180 -165.25 166.91 18.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -45.45 132.78 6.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.539 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.07 55.81 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 6.3 p30 -155.26 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 34.4 t -58.05 -18.73 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 85.7 m-85 -85.08 171.74 11.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.71 154.58 17.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.95 -62.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.59 -47.04 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -61.66 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 12' ' ' VAL . 83.3 mt -40.16 -49.9 2.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -55.97 -58.49 7.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -40.01 -63.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.834 HG23 HD11 ' A' ' 76' ' ' ILE . 71.6 mt -45.27 -53.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 11' ' ' GLN . 71.6 mt -55.78 -36.06 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -73.53 -23.25 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.83 28.8 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.702 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.68 -67.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' OG ' ' A' ' 73' ' ' SER . 1.8 m120 -42.67 -38.94 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.8 m -70.7 -51.0 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 69' ' ' ILE . 9.5 mt -43.89 154.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' VAL . 9.4 tt0 -170.61 129.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.2 m-85 -90.65 99.48 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.0 t -85.43 131.16 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.75 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.7 mm -110.38 130.8 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -114.38 -42.6 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.761 ' O ' HD21 ' A' ' 44' ' ' LEU . 5.0 mtp85 -135.99 93.42 15.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.24 -25.63 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.881 HD13 ' CG ' ' A' ' 40' ' ' HIS . 94.7 mt -68.28 -44.21 76.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.588 HD22 ' CG ' ' A' ' 33' ' ' PRO . 75.1 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 66' ' ' LEU . 10.8 mt -53.56 -49.26 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -37.67 -53.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -50.48 73.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.479 ' HB2' HD11 ' A' ' 70' ' ' LEU . 7.8 mt-30 -54.01 -58.6 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.654 HG21 HD22 ' A' ' 66' ' ' LEU . 94.0 t -45.28 -60.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -39.64 -51.14 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -58.17 -44.68 88.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.9 tp -57.84 -63.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -50.6 -49.15 57.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.8 m120 -60.97 -60.01 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -45.43 -45.86 13.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 59.0 mmt-85 -61.22 -46.82 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -51.73 -45.5 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -49.12 -49.54 41.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.46 -27.42 66.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.762 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.75 -17.36 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -116.98 1.82 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.28 30.9 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -102.43 145.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -39.19 19.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -84.39 162.05 52.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 137.92 22.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 54.4 t -124.71 165.93 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 24.1 mtmt -68.85 151.11 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.532 HG12 ' CD1' ' A' ' 34' ' ' TYR . 2.9 t -111.1 117.24 50.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.98 68.39 5.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.532 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.7 m-85 -36.96 -59.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -41.13 -57.11 2.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.8 mmtt -45.73 -45.68 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.431 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.6 m-85 -74.99 -24.54 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.1 mt -77.41 -57.85 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.2 mtm -68.51 -22.88 64.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 85' ' ' LEU . 12.9 m80 -130.37 68.95 81.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -19.49 17.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.13 -32.71 24.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.3 mp0 -88.18 -50.67 6.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.4 mt -116.66 119.27 34.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.6 p90 -147.68 -178.55 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.726 HG23 HD22 ' A' ' 55' ' ' LEU . 39.7 t -124.38 146.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 77' ' ' GLN . 3.0 m -131.01 143.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 108.6 -27.24 13.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.827 HD23 HD11 ' A' ' 76' ' ' ILE . 41.6 mt -40.59 154.06 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.97 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 178.81 6.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.02 142.33 43.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.38 29.68 75.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.97 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.4 mt -147.26 144.7 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.411 ' C ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -138.09 -152.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 46' ' ' VAL . 36.9 tp -101.36 111.58 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.528 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.0 mtt85 -161.88 165.44 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -44.6 132.99 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.96 59.94 5.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.99 -44.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.45 -18.23 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 89.3 m-85 -85.23 174.23 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.18 154.54 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -41.49 -61.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.54 -49.05 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 51.9 mttt -58.29 -62.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.654 HD22 HG21 ' A' ' 12' ' ' VAL . 81.7 mt -39.05 -52.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -52.72 -59.46 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.25 -64.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.753 HG23 HD11 ' A' ' 76' ' ' ILE . 97.2 mt -43.11 -54.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 11' ' ' GLN . 78.4 mt -55.02 -39.47 69.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' LYS . 8.4 mt-10 -71.29 -19.86 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.14 29.07 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.677 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.32 -65.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.82 -47.65 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -51.9 64.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.827 HD11 HD23 ' A' ' 49' ' ' LEU . 6.5 mt -42.72 153.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.467 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.6 tt0 -170.32 130.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -91.12 97.76 11.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.9 t -82.78 130.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.762 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.9 mm -109.4 130.52 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -38.28 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 44' ' ' LEU . 25.3 mtt180 -143.33 95.86 5.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.31 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.5 -21.57 62.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 40' ' ' HIS . 80.7 mt -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' A' ' 33' ' ' PRO . 55.0 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 66' ' ' LEU . 23.5 mt -62.51 -46.21 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mtm-85 -38.12 -54.69 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.8 -47.56 84.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.8 mt-30 -58.14 -53.61 56.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.644 HG21 HD22 ' A' ' 66' ' ' LEU . 85.6 t -50.91 -56.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -42.59 -51.8 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 18' ' ' THR . 35.2 tp -57.46 -45.98 84.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.1 tp -55.78 -61.67 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -55.77 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.0 m120 -54.07 -47.86 71.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 21.4 m -58.91 -54.43 47.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.439 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmt-85 -51.28 -45.54 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.9 t80 -51.83 -46.42 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.11 -49.28 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -58.75 -29.43 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.685 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.61 -14.52 60.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.8 pt -120.89 6.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.53 31.91 71.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -104.86 144.94 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -85.39 -38.09 19.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.9 pt-20 -83.89 160.18 58.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.03 134.05 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.6 t -120.73 166.22 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 12.9 mtmt -67.18 151.63 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.544 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -114.03 115.91 45.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 68.85 5.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.782 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.6 m-85 -36.85 -58.45 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.81 -56.07 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 16.0 mmtt -47.87 -42.17 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.8 m-85 -78.97 -23.01 44.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.9 mt -79.02 -56.92 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.12 -22.76 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.914 ' CG ' HD13 ' A' ' 85' ' ' LEU . 19.8 m-70 -129.99 69.07 81.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -40.46 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 6.9 mp0 -81.67 -52.69 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.844 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.1 mt -112.39 119.52 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.0 p90 -151.2 -175.49 5.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.713 HG23 HD22 ' A' ' 55' ' ' LEU . 69.4 t -129.33 146.71 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 79' ' ' VAL . 12.6 m -126.52 149.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 104.4 -28.61 14.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.763 HD23 HD11 ' A' ' 76' ' ' ILE . 30.2 mt -40.28 153.47 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.754 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.949 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.5 Cg_endo -74.98 170.98 19.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 140.53 53.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.65 29.92 71.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.949 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -148.28 144.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 -155.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.713 HD22 HG23 ' A' ' 46' ' ' VAL . 29.5 tp -99.14 119.14 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.4 mtt180 -170.61 164.91 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -47.24 135.06 9.23 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.526 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 53.37 3.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -144.17 -46.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.0 t -59.66 -19.66 50.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 87.0 m-85 -84.58 169.78 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -107.66 155.99 16.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.22 -55.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.53 -49.25 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -62.29 -60.59 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 12' ' ' VAL . 82.2 mt -40.26 -51.39 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -55.26 -59.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.88 -63.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.881 HG23 HD11 ' A' ' 76' ' ' ILE . 59.4 mt -44.65 -55.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.6 mt -55.07 -35.6 64.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.5 mt-10 -72.37 -26.48 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.77 28.49 8.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.696 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.23 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -46.65 -35.05 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.7 m -73.68 -48.65 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.881 HD11 HG23 ' A' ' 69' ' ' ILE . 11.5 mt -46.34 155.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.437 ' HB3' HG23 ' A' ' 47' ' ' VAL . 28.4 tt0 -170.47 128.0 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -88.96 98.71 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -84.42 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.685 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.8 mm -110.56 130.71 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -40.05 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.844 ' O ' HD21 ' A' ' 44' ' ' LEU . 20.0 mtt85 -141.79 95.6 6.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.47 20.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.98 -25.63 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.914 HD13 ' CG ' ' A' ' 40' ' ' HIS . 58.3 mt -68.5 -43.34 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 33' ' ' PRO . 70.1 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 66' ' ' LEU . 15.3 mt -51.81 -47.09 64.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.79 -60.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -53.01 -47.21 68.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HB2' HD11 ' A' ' 70' ' ' LEU . 7.3 mt-30 -57.99 -60.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.573 HG21 HD22 ' A' ' 66' ' ' LEU . 74.8 t -44.18 -50.99 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -46.06 -54.44 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 18' ' ' THR . 39.1 tp -54.74 -44.44 73.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 73' ' ' SER . 37.8 tp -57.94 -65.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -53.32 -50.46 64.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.6 m120 -58.03 -47.18 83.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 20.0 m -60.62 -56.53 20.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 42.5 mmt-85 -46.95 -47.6 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 19.3 t80 -50.81 -46.0 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.26 24.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -59.08 -29.24 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.7 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.81 -14.02 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -121.15 4.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.87 30.86 67.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -102.37 147.01 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.25 -34.96 18.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -88.8 162.95 37.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 26' ' ' ILE . 55.8 t -124.01 165.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.3 mtmt -67.28 146.72 53.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.565 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -108.38 116.85 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.537 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.99 66.31 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.0 m-85 -36.32 -58.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 38' ' ' LEU . 2.2 p -41.0 -56.37 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.3 mmtt -47.38 -43.18 23.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.8 m-85 -78.12 -23.16 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' TYR . 69.4 mt -77.44 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.1 mtm -67.91 -23.02 65.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.964 ' CG ' HD13 ' A' ' 85' ' ' LEU . 13.5 m80 -129.98 69.19 81.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.19 18.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -35.94 22.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 11.1 mp0 -84.39 -52.81 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.744 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.9 mt -113.23 118.81 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 34.6 p90 -149.14 -179.59 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.868 HG23 HD22 ' A' ' 55' ' ' LEU . 71.6 t -126.03 139.3 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG22 HG23 ' A' ' 79' ' ' VAL . 4.9 m -119.48 152.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.86 26.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 76' ' ' ILE . 21.1 mt -41.11 155.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.97 -173.88 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.92 140.54 33.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.58 29.68 75.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.5 142.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.84 -153.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.868 HD22 HG23 ' A' ' 46' ' ' VAL . 29.2 tp -101.41 116.56 33.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.0 mtt180 -169.9 163.39 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -41.58 132.55 2.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.527 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.04 57.13 4.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.77 . . . . 0.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -150.11 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.45 -22.46 43.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.644 ' CE2' HG23 ' A' ' 53' ' ' ILE . 92.4 m-85 -80.48 164.52 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -97.82 153.34 20.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.33 -56.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -45.01 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 49.0 mttt -61.77 -62.15 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 8' ' ' LEU . 83.7 mt -39.51 -52.85 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.2 mtt-85 -51.64 -59.97 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.811 HG23 HD11 ' A' ' 76' ' ' ILE . 85.4 mt -44.88 -55.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 11' ' ' GLN . 63.7 mt -55.04 -40.49 70.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.01 -20.88 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.44 28.42 8.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.67 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.2 -63.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.05 -34.51 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.811 HD11 HG23 ' A' ' 69' ' ' ILE . 8.6 mt -44.65 155.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -170.39 126.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.35 99.09 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.516 HG23 HG22 ' A' ' 47' ' ' VAL . 71.6 t -85.67 130.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.7 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.2 mm -109.79 130.95 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.54 -41.85 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.744 ' O ' HD21 ' A' ' 44' ' ' LEU . 28.2 mtt180 -138.27 94.22 11.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.93 19.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.59 -21.77 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.964 HD13 ' CG ' ' A' ' 40' ' ' HIS . 76.1 mt -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.537 HD22 ' CG ' ' A' ' 33' ' ' PRO . 79.9 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 66' ' ' LEU . 25.0 mt -60.06 -41.83 93.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -38.24 -60.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -53.18 -51.73 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.7 mt-30 -50.54 -52.4 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.485 HG11 ' HB3' ' A' ' 58' ' ' PRO . 95.2 t -51.11 -52.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -45.32 -54.18 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.0 tp -55.2 -47.0 75.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.668 HD21 HD12 ' A' ' 76' ' ' ILE . 33.6 tp -55.05 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -52.12 -57.26 10.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m120 -53.02 -54.31 37.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 50.3 m -53.09 -46.04 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -58.62 -47.62 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.1 t80 -51.37 -45.2 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.73 -49.37 38.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -57.67 -29.92 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.33 -16.4 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.7 pt -119.8 10.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.07 32.09 82.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -104.72 142.73 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -36.73 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.8 pt-20 -83.77 159.68 60.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' LYS . 54.5 t -121.18 166.11 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 13.4 mtmt -69.65 148.86 48.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.533 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.1 t -109.34 117.26 53.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.04 67.14 6.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.769 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.533 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.8 m-85 -36.51 -57.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.0 -55.82 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.4 mmtm -48.5 -41.74 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -79.21 -22.6 44.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.8 mt -78.13 -57.67 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -68.56 -23.12 64.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.877 ' CG ' HD13 ' A' ' 85' ' ' LEU . 12.9 m80 -130.2 68.84 81.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.91 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -33.33 29.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 5.7 mp0 -86.72 -53.34 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.743 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.4 mt -112.3 118.01 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -148.24 -178.31 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.885 HG23 HD22 ' A' ' 55' ' ' LEU . 90.2 t -127.56 140.74 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.497 HG22 HG23 ' A' ' 79' ' ' VAL . 15.5 m -121.4 151.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -27.73 18.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.644 HD23 HD11 ' A' ' 76' ' ' ILE . 22.7 mt -42.04 153.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.786 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -76.84 145.92 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.58 29.91 76.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.157 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.0 mt -146.06 139.92 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 -153.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.885 HD22 HG23 ' A' ' 46' ' ' VAL . 43.1 tp -105.56 107.94 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 11.3 mtt-85 -157.76 159.14 36.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -45.46 141.02 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 54.56 3.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -141.26 -45.99 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 t -82.43 53.12 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' HE2' HG23 ' A' ' 53' ' ' ILE . 51.6 m-85 -144.36 176.34 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -108.28 148.75 16.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.37 -58.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.09 -46.3 44.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -56.56 -62.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 8' ' ' LEU . 70.8 mt -41.09 -51.01 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 61.0 mtt-85 -58.69 -57.76 11.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -63.96 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.856 HG23 HD11 ' A' ' 76' ' ' ILE . 70.2 mt -45.46 -51.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 11' ' ' GLN . 79.7 mt -58.16 -37.73 75.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 6.2 mt-10 -72.87 -23.05 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.93 24.21 13.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.667 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.89 -67.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -43.77 -36.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 m -72.52 -46.91 52.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.856 HD11 HG23 ' A' ' 69' ' ' ILE . 11.6 mt -48.26 154.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.406 ' HB3' HG23 ' A' ' 47' ' ' VAL . 25.6 tt0 -170.36 129.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -91.22 96.69 10.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.1 t -81.71 130.48 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.629 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.5 mm -108.95 131.05 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.7 -40.1 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.743 ' O ' HD21 ' A' ' 44' ' ' LEU . 86.9 mtt180 -140.12 94.55 8.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.59 20.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.25 -23.58 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.877 HD13 ' CG ' ' A' ' 40' ' ' HIS . 78.5 mt -70.66 -42.54 70.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.621 HD22 ' HG2' ' A' ' 33' ' ' PRO . 61.5 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.566 ' HB2' HD13 ' A' ' 66' ' ' LEU . 40.7 mt -70.48 -40.97 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 10.6 mtm-85 -37.69 -55.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -57.27 -50.94 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.3 mt-30 -52.87 -52.18 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.585 HG21 HD22 ' A' ' 66' ' ' LEU . 74.0 t -53.26 -53.15 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.35 -51.62 8.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 18' ' ' THR . 32.8 tp -57.86 -45.89 85.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 73' ' ' SER . 30.1 tp -56.67 -63.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -53.15 -54.61 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 2.3 m-80 -55.33 -54.83 38.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 36.1 m -51.37 -52.44 45.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -53.23 -49.16 67.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 20.8 t80 -49.76 -46.08 50.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.17 -50.21 21.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -58.58 -29.66 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.658 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.95 -13.98 60.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 21.5 pt -120.78 1.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 75.08 28.81 61.62 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -102.38 144.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.46 -37.25 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 7.5 pt-20 -84.84 162.31 50.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.01 136.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.029 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.7 t -123.75 165.95 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.7 mtmt -67.29 149.46 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -112.75 116.04 48.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.613 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.93 67.22 5.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.8 m-85 -36.33 -56.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -43.08 -55.53 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.938 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 8.2 mmtt -48.69 -40.04 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.46 ' HB3' HD23 ' A' ' 55' ' ' LEU . 31.1 m-85 -81.13 -21.62 39.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.3 mt -80.38 -58.46 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.48 -23.29 65.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.884 ' CG ' HD13 ' A' ' 85' ' ' LEU . 10.9 m80 -129.64 69.48 81.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.17 14.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.72 -33.31 35.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 3.4 mp0 -86.63 -54.56 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.735 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.6 mt -112.69 122.22 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 28.9 p90 -152.16 178.62 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.783 HG23 HD22 ' A' ' 55' ' ' LEU . 73.1 t -125.09 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.535 HG22 HG23 ' A' ' 79' ' ' VAL . 4.3 m -119.77 149.48 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.32 -19.63 42.25 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD23 HD11 ' A' ' 76' ' ' ILE . 27.4 mt -48.64 153.83 1.32 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.988 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.79 139.64 41.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.17 29.86 72.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.988 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -147.22 141.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 -150.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.783 HD22 HG23 ' A' ' 46' ' ' VAL . 31.6 tp -105.01 115.4 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.2 mtt180 -167.17 163.06 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.39 132.95 2.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.536 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -147.27 -46.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.16 -23.55 48.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' HG23 ' A' ' 53' ' ' ILE . 92.5 m-85 -79.47 172.08 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -109.05 155.43 16.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -39.92 -56.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.62 -52.85 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.87 -58.88 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 12' ' ' VAL . 85.6 mt -40.02 -51.3 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 3.0 mtp180 -55.42 -59.15 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -39.32 -63.03 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.7 HG23 HD11 ' A' ' 76' ' ' ILE . 71.8 mt -45.45 -54.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.477 HD12 HD22 ' A' ' 8' ' ' LEU . 84.0 mt -56.35 -37.52 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -71.62 -20.37 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.03 28.76 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.694 ' HB2' HD13 ' A' ' 15' ' ' LEU . 87.0 p -59.46 -51.71 68.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -60.12 3.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 p -51.17 -46.38 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.7 HD11 HG23 ' A' ' 69' ' ' ILE . 5.6 mt -47.91 149.33 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -170.78 125.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.95 99.02 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.6 t -85.11 130.1 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.658 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.0 mm -109.26 130.81 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -42.6 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.735 ' O ' HD21 ' A' ' 44' ' ' LEU . 61.8 mtt180 -138.55 94.76 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -16.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.15 -22.89 31.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.884 HD13 ' CG ' ' A' ' 40' ' ' HIS . 68.4 mt -72.48 -44.64 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.613 HD22 ' HG2' ' A' ' 33' ' ' PRO . 58.1 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 24.8 mt -60.7 -46.08 91.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -38.3 -58.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.41 -47.12 73.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.601 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.4 mt-30 -58.5 -54.63 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.558 HG21 HD22 ' A' ' 66' ' ' LEU . 96.9 t -50.35 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.76 -52.87 4.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.5 tp -56.12 -46.16 79.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.2 tp -57.06 -68.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -45.69 -54.6 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.7 m120 -57.03 -60.65 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 30.3 m -44.24 -49.23 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -56.77 -49.7 74.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -49.58 -46.69 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.84 -50.25 26.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -58.6 -29.47 66.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.746 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.71 -16.26 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.442 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.9 pt -118.35 2.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.14 30.31 61.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.8 mt -103.26 143.17 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -83.58 -36.79 23.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.059 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.6 pt-20 -84.39 159.71 58.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.04 134.99 18.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.2 t -122.16 166.05 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 21.4 mtmt -68.99 153.13 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.0 t -113.69 116.54 45.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.05 71.65 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 32' ' ' VAL . 21.1 m-85 -38.56 -59.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.91 -55.81 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 71.0 mmtt -48.31 -42.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 30.4 m-85 -79.44 -22.28 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.0 mt -79.09 -57.86 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.99 -22.6 64.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.809 ' CG ' HD13 ' A' ' 85' ' ' LEU . 21.7 m-70 -129.89 69.15 81.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.1 18.24 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -34.21 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.1 mp0 -86.67 -54.92 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.6 mt -112.11 118.26 34.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.4 p90 -148.51 -178.82 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.685 HG23 HD22 ' A' ' 55' ' ' LEU . 48.5 t -123.35 148.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.9 m -133.94 143.54 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.02 -13.92 40.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.81 HD23 HD11 ' A' ' 76' ' ' ILE . 28.7 mt -53.37 155.53 4.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -172.38 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.37 143.04 30.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.45 30.46 77.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.35 142.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.29 -155.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.685 HD22 HG23 ' A' ' 46' ' ' VAL . 45.5 tp -100.92 110.45 22.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 mtt85 -159.66 170.23 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -47.97 132.82 11.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.518 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.33 3.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.9 p30 -154.04 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 8.0 t -58.17 -20.79 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 70.2 m-85 -81.35 -179.14 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.14 153.41 17.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -42.22 -58.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.0 -51.15 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' LEU . 52.9 mttt -59.97 -59.75 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.558 HD22 HG21 ' A' ' 12' ' ' VAL . 85.6 mt -39.42 -48.44 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -57.49 -59.04 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -40.85 -63.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.674 HG23 HD11 ' A' ' 76' ' ' ILE . 96.1 mt -42.49 -57.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 11' ' ' GLN . 71.1 mt -52.85 -41.0 63.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.81 -21.62 64.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.77 31.25 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.724 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.63 -66.56 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.2 m-80 -42.1 -44.59 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.8 m -65.43 -45.77 82.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.81 HD11 HD23 ' A' ' 49' ' ' LEU . 4.9 mt -49.45 154.04 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.47 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.8 tt0 -170.62 126.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' A' ' 32' ' ' VAL . 7.0 m-85 -88.26 98.32 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -83.81 130.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.746 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.9 mm -109.65 130.87 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -113.28 -38.72 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.724 ' O ' HD21 ' A' ' 44' ' ' LEU . 25.5 mtp180 -142.09 95.18 6.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.98 20.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.76 -23.38 64.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.809 HD13 ' CG ' ' A' ' 40' ' ' HIS . 71.4 mt -69.68 -44.49 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.628 HD22 ' HG2' ' A' ' 33' ' ' PRO . 65.8 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 70' ' ' LEU . 36.4 mt -71.44 -41.44 69.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.751 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -38.77 -59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -52.99 -47.11 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.47 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.2 mt-30 -58.52 -54.92 41.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 HD22 ' A' ' 66' ' ' LEU . 85.7 t -51.02 -61.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' VAL . 3.1 mt-10 -38.55 -49.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.2 tp -60.75 -47.17 87.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD21 HD12 ' A' ' 76' ' ' ILE . 36.1 tp -54.62 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -58.83 -56.36 23.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.0 m120 -52.51 -44.64 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.2 m -62.88 -59.09 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -47.01 -45.17 20.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 25.0 t80 -52.0 -46.49 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.99 -49.64 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -59.04 -29.98 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.689 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -72.97 -15.84 61.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.4 pt -118.21 -0.26 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 76.6 29.0 58.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 30' ' ' VAL . 1.8 mt -100.89 148.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -39.34 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.3 pt-20 -85.92 164.46 39.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.0 23.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 26' ' ' ILE . 55.3 t -125.17 166.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 25.4 mtmt -67.93 143.87 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -104.26 114.58 64.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.01 66.68 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.62 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.5 m-85 -36.84 -58.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 69.8 mmtt -47.88 -42.59 27.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.3 m-85 -78.5 -22.55 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' TYR . 96.4 mt -78.01 -56.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.7 mtm -69.16 -22.89 63.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.89 ' CG ' HD13 ' A' ' 85' ' ' LEU . 20.0 m-70 -130.17 68.39 81.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.19 15.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -36.93 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 5.6 mp0 -84.04 -52.19 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.4 mt -112.42 121.28 44.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -152.37 -177.68 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.769 HG23 HD22 ' A' ' 55' ' ' LEU . 74.2 t -128.09 143.6 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.503 HG22 HG23 ' A' ' 79' ' ' VAL . 15.3 m -123.52 151.11 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.35 -25.3 27.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.714 HD23 HD11 ' A' ' 76' ' ' ILE . 23.2 mt -42.09 155.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 0.761 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.957 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 -170.26 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 141.42 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.61 29.74 76.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.957 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -144.36 141.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.59 -149.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.769 HD22 HG23 ' A' ' 46' ' ' VAL . 28.3 tp -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.7 mtt180 -158.89 166.09 32.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -45.32 132.83 5.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.0 Cg_endo -75.08 52.96 3.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -151.54 -45.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.67 -19.71 17.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 77.0 m-85 -84.0 179.45 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -114.85 154.76 16.78 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.67 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.44 -52.28 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 2.8 mttp -60.76 -59.56 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 12' ' ' VAL . 86.9 mt -39.76 -50.03 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -55.87 -59.27 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -40.34 -63.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.744 HG23 HD11 ' A' ' 76' ' ' ILE . 87.6 mt -40.96 -60.26 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.551 HD12 HD22 ' A' ' 8' ' ' LEU . 87.7 mt -51.77 -46.12 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.32 -22.42 66.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.68 25.21 12.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.643 ' HB2' HD13 ' A' ' 15' ' ' LEU . 84.8 p -60.14 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -42.11 -41.97 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -68.91 -53.59 20.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.744 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -40.62 152.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 25.5 tt0 -170.25 126.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -86.22 100.4 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -86.93 130.92 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.689 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.8 mm -109.99 130.76 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.14 -41.32 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.721 ' O ' HD21 ' A' ' 44' ' ' LEU . 30.5 mtt85 -139.73 95.0 8.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.97 20.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -59.41 -21.32 59.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.233 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.89 HD13 ' CG ' ' A' ' 40' ' ' HIS . 78.6 mt -73.54 -44.63 57.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.566 HD22 ' HG2' ' A' ' 33' ' ' PRO . 71.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 21.8 mt -61.8 -47.62 84.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -40.54 -56.33 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -56.17 -45.06 79.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.87 -53.16 60.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 93.0 t -48.93 -56.89 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -43.0 -56.47 3.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 18' ' ' THR . 30.8 tp -54.35 -47.94 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 73' ' ' SER . 38.3 tp -53.17 -63.29 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -54.95 -58.59 7.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.0 m120 -50.15 -48.04 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -60.33 -53.47 57.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 6.7 mmt180 -51.44 -46.48 63.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.59 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -51.55 -47.5 63.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.33 -49.57 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -58.12 -32.3 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.666 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -71.38 -12.49 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.6 pt -122.67 2.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.09 29.69 62.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -103.46 143.57 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 0.78 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.42 -37.94 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.9 pt-20 -83.15 159.64 61.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.5 17.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.5 t -121.24 166.05 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.59 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 15.5 mttt -67.57 147.64 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.589 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -107.71 115.7 58.65 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.0 67.05 5.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.589 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.8 m-85 -37.48 -60.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 75.1 mmtt -46.86 -44.03 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' HB3' HD23 ' A' ' 55' ' ' LEU . 37.1 m-85 -77.24 -23.65 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 93.9 mt -77.77 -56.23 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.52 -23.02 64.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.71 ' CG ' HD13 ' A' ' 85' ' ' LEU . 40.3 m-70 -130.03 68.81 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.52 20.66 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -37.93 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.8 mp0 -84.12 -53.01 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.7 mt -112.31 117.43 32.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.549 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.7 p90 -148.13 179.91 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.707 HG21 HD13 ' A' ' 55' ' ' LEU . 70.2 t -126.31 139.65 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' GLN . 18.3 m -120.46 153.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 101.49 -27.27 21.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD23 HD11 ' A' ' 76' ' ' ILE . 26.3 mt -40.38 155.53 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.955 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.01 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -84.9 138.21 32.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.68 70.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.955 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.4 mt -144.52 139.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.6 -151.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.707 HD13 HG21 ' A' ' 46' ' ' VAL . 37.8 tp -101.97 90.55 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 1.9 mtt180 -135.31 161.47 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.05 145.9 31.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.497 ' O ' ' CD ' ' A' ' 9' ' ' ARG . 18.3 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -150.58 -46.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 52.6 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 108.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 1.1 m-85 -139.06 -86.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.21 151.42 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.32 -63.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -40.29 -60.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 16.8 mttt -55.54 -59.86 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 78.4 mt -39.35 -50.71 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.6 mtt-85 -59.28 -57.36 13.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -39.85 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.618 HG23 ' CD1' ' A' ' 76' ' ' ILE . 18.2 mt -39.15 -56.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.0 mt -53.41 -48.05 69.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.4 -18.84 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.46 20.74 15.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.641 ' HB2' HD13 ' A' ' 15' ' ' LEU . 32.8 p -55.23 -47.06 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -60.5 -50.83 71.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.4 m -60.49 -46.91 88.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.618 ' CD1' HG23 ' A' ' 69' ' ' ILE . 7.5 mt -45.09 150.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.6 tt0 -170.51 125.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.5 m-85 -87.77 100.65 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 70.4 t -87.45 131.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.666 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 6.6 mm -109.42 131.01 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.84 -37.55 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.777 ' O ' HD21 ' A' ' 44' ' ' LEU . 10.4 mtt180 -143.73 95.04 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -15.24 20.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.31 -23.37 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.71 HD13 ' CG ' ' A' ' 40' ' ' HIS . 35.2 mt -69.75 -46.12 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.606 HD21 HD13 ' A' ' 44' ' ' LEU . 46.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.518 ' HB2' HD13 ' A' ' 66' ' ' LEU . 34.4 mt -57.02 -46.37 82.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 50.8 mtm-85 -38.76 -57.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -54.64 -42.27 71.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.374 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.4 mt-30 -64.18 -59.58 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 66' ' ' LEU . 85.0 t -44.3 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.533 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 1.9 mt-10 -41.19 -54.2 2.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -56.03 -45.87 79.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -56.79 -69.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -44.43 -47.79 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 13' ' ' GLU . 1.9 m-80 -62.69 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -39.5 -40.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -65.99 -49.95 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 29.7 t80 -49.72 -47.19 50.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.54 -49.82 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -58.92 -28.5 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.764 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.0 -19.54 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.6 pt -114.69 8.82 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.56 32.86 82.83 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -102.77 145.71 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.51 -37.78 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -85.73 161.41 50.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.02 137.94 22.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.434 1.755 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 70.9 t -127.69 164.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 3.2 mmmt -61.23 -175.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 34' ' ' TYR . 20.0 t -142.9 117.08 6.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.637 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 67.06 6.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.0 m-85 -36.89 -58.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.07 -55.55 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.3 mmtt -48.65 -42.05 33.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' TYR . 34.3 m-85 -79.1 -22.21 45.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -79.37 -56.69 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -69.08 -22.37 64.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.808 ' CG ' HD13 ' A' ' 85' ' ' LEU . 33.9 m-70 -130.6 68.73 81.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.76 21.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -46.66 9.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.536 ' CD ' HD11 ' A' ' 85' ' ' LEU . 1.5 mt-10 -78.05 -51.62 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.824 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.0 mt -111.41 116.15 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.536 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.7 p90 -147.66 179.41 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.726 HG23 HD22 ' A' ' 55' ' ' LEU . 24.3 t -123.33 146.2 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.9 m -129.47 151.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -26.3 25.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.681 HD23 HD11 ' A' ' 76' ' ' ILE . 33.2 mt -41.08 153.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.78 139.0 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.19 29.79 71.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.9 mt -146.77 142.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.59 -151.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.953 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 46' ' ' VAL . 32.8 tp -102.36 111.23 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.5 mtt180 -159.72 168.49 25.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -52.95 135.37 47.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.511 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 55.55 3.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -144.69 -47.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.68 -32.83 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.624 ' CE1' HG23 ' A' ' 53' ' ' ILE . 86.7 m-85 -68.45 160.66 29.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -100.43 156.26 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.76 -57.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.36 -49.85 32.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.0 mttt -61.21 -58.37 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 12' ' ' VAL . 88.4 mt -40.03 -52.71 2.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -53.81 -56.17 19.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -62.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.546 HG22 HD23 ' A' ' 15' ' ' LEU . 47.7 mt -42.92 -58.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.75 -46.44 64.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.63 -22.05 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.28 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.643 ' HB2' HD13 ' A' ' 15' ' ' LEU . 88.5 p -66.91 -67.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -45.02 -34.15 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -78.31 -43.93 26.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.681 HD11 HD23 ' A' ' 49' ' ' LEU . 2.9 mt -49.49 153.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.43 ' HB3' HG23 ' A' ' 47' ' ' VAL . 16.8 tt0 -170.44 125.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -87.28 98.06 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.536 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -83.1 131.72 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.764 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.5 mm -111.92 130.69 65.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -112.98 -43.48 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.824 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.9 mtp85 -137.24 94.75 12.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.64 20.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.16 -26.62 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.808 HD13 ' CG ' ' A' ' 40' ' ' HIS . 45.2 mt -66.81 -43.32 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.637 HD22 ' CG ' ' A' ' 33' ' ' PRO . 69.6 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HB2' HD13 ' A' ' 66' ' ' LEU . 37.5 mt -67.42 -41.42 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.9 mtm-85 -38.03 -62.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -49.8 -44.32 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HB2' HD11 ' A' ' 70' ' ' LEU . 8.3 mt-30 -62.13 -54.2 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.564 HG21 HD22 ' A' ' 66' ' ' LEU . 95.4 t -52.45 -49.23 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -48.46 -53.67 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -55.38 -46.48 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.8 tp -54.79 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -56.06 -55.62 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m120 -52.13 -46.95 65.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.8 m -61.67 -60.3 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.4 mmt180 -42.33 -48.95 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.9 t80 -50.12 -46.69 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.03 -50.77 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.49 -28.99 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.672 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.3 -17.14 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -117.4 3.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.43 30.59 62.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.557 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -102.99 147.5 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -38.96 16.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.9 pt-20 -85.99 164.07 40.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 139.82 24.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.557 HG21 HD12 ' A' ' 26' ' ' ILE . 56.0 t -126.61 165.85 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 27.4 mtmt -69.41 144.8 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 34' ' ' TYR . 4.1 t -105.68 117.72 57.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.617 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.03 65.19 6.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CD1' HG12 ' A' ' 32' ' ' VAL . 17.2 m-85 -35.28 -56.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -55.12 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 11.9 mmtt -49.36 -41.11 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.1 m-85 -79.36 -21.97 45.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.4 mt -79.48 -57.06 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.3 mtm -69.2 -23.03 63.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 85' ' ' LEU . 7.7 m80 -130.86 68.59 81.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.62 14.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -32.22 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.0 mp0 -87.96 -51.88 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.713 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.0 mt -113.24 120.81 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 41.4 p90 -150.92 -177.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.934 HG23 HD22 ' A' ' 55' ' ' LEU . 89.1 t -130.08 140.51 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.529 HG22 HG23 ' A' ' 79' ' ' VAL . 15.8 m -120.19 152.67 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.11 -24.18 32.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD23 HD11 ' A' ' 76' ' ' ILE . 25.8 mt -42.41 155.47 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.965 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -176.08 2.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.9 137.29 36.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.69 32.23 74.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.965 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.0 mt -147.96 139.51 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.73 -151.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.934 HD22 HG23 ' A' ' 46' ' ' VAL . 22.4 tp -99.61 112.87 25.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 15.8 mtt85 -163.11 170.53 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 142.33 84.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.511 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.95 1.61 7.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -100.53 10.25 41.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.55 13.31 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 44.4 m-85 -121.78 136.35 54.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.24 50.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.64 -56.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.68 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -61.84 -59.66 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 12' ' ' VAL . 81.9 mt -41.31 -51.97 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 71' ' ' GLU . 11.6 mtp180 -55.47 -59.46 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.52 -64.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.842 HG23 HD11 ' A' ' 76' ' ' ILE . 35.2 mt -44.88 -51.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 11' ' ' GLN . 65.0 mt -58.56 -35.62 72.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' LYS . 5.0 mt-10 -73.7 -22.45 59.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.32 26.74 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.713 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.61 -61.17 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -49.43 -42.13 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -66.94 -47.89 70.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 69' ' ' ILE . 8.4 mt -46.75 153.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' VAL . 24.9 tt0 -170.46 126.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -87.15 97.88 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.7 t -83.19 131.51 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.672 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.2 mm -111.38 130.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.59 -42.6 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.713 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.9 mtp85 -136.57 94.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.96 21.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.64 -21.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 40' ' ' HIS . 95.7 mt -70.62 -44.01 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.617 HD22 ' HG2' ' A' ' 33' ' ' PRO . 64.5 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 25.0 mt -60.04 -43.78 95.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 66.5 mtm-85 -38.06 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -52.99 -48.82 67.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -54.94 -54.35 43.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG11 ' HB3' ' A' ' 58' ' ' PRO . 86.4 t -48.99 -53.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -45.29 -54.97 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.0 tp -54.87 -45.97 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 73' ' ' SER . 38.4 tp -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -53.79 -55.21 28.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.7 m120 -53.56 -50.59 65.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 27.9 m -57.25 -52.24 66.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -51.37 -48.4 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -50.48 -44.51 55.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -50.08 -49.86 49.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -57.77 -29.29 64.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.688 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.23 -19.88 60.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.467 HD11 HG21 ' A' ' 30' ' ' VAL . 22.1 pt -115.31 8.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.29 31.75 78.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -103.48 145.25 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -38.41 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -84.58 161.9 52.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 136.72 20.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG21 HD12 ' A' ' 26' ' ' ILE . 55.5 t -123.56 165.89 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 10.2 mtmm -68.29 147.67 51.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.511 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -107.77 117.47 55.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 69.11 5.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.511 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.3 m-85 -39.07 -60.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.4 m -39.98 -56.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.948 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' CD ' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -46.09 -45.29 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' TYR . 36.2 m-85 -76.17 -24.25 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.8 mt -76.35 -55.46 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.03 -22.96 63.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.625 ' CG ' HD13 ' A' ' 85' ' ' LEU . 65.5 m-70 -131.1 68.02 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.599 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.34 14.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' CB ' ' OE2' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -81.94 -34.38 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HG2' HD11 ' A' ' 85' ' ' LEU . 2.5 mp0 -86.81 -49.28 7.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.626 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.2 mt -115.19 118.06 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -147.59 -177.86 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.592 HG23 HD22 ' A' ' 55' ' ' LEU . 42.8 t -125.15 141.71 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.594 HG22 HG23 ' A' ' 79' ' ' VAL . 3.8 m -121.78 146.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -28.71 13.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.694 HD23 HD11 ' A' ' 76' ' ' ILE . 20.3 mt -41.9 153.83 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.993 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.03 -177.93 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.48 145.03 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.86 29.89 76.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.993 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -145.6 138.54 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.592 HD22 HG23 ' A' ' 46' ' ' VAL . 61.2 tp -107.6 110.83 22.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 26.5 mtt180 -162.62 158.54 23.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 5.3 mtt180 -43.03 139.55 2.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.99 52.52 3.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -139.26 -45.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.39 53.38 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 58.4 m-85 -147.05 178.82 8.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -110.52 148.9 17.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.04 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.46 29.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 32.2 mttt -55.97 -62.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 12' ' ' VAL . 76.2 mt -40.13 -49.21 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -60.55 -57.48 12.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -64.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.795 HG23 HD11 ' A' ' 76' ' ' ILE . 60.1 mt -44.22 -53.72 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.6 mt -56.59 -41.55 77.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.69 -23.65 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.66 23.08 14.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.673 ' HB2' HD13 ' A' ' 15' ' ' LEU . 89.8 p -57.19 -67.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.33 -44.84 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -66.69 -49.32 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.795 HD11 HG23 ' A' ' 69' ' ' ILE . 6.6 mt -45.48 150.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -170.5 126.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -84.85 98.88 10.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.594 HG23 HG22 ' A' ' 47' ' ' VAL . 69.6 t -84.14 130.89 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.688 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.8 mm -110.45 130.29 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.95 -49.91 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.626 ' O ' HD21 ' A' ' 44' ' ' LEU . 5.6 mpt_? -131.61 95.58 23.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.92 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -19.25 65.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.625 HD13 ' CG ' ' A' ' 40' ' ' HIS . 23.5 mt -71.12 -45.24 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.507 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 31.0 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 29.7 mt -58.02 -47.53 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mtm105 -36.96 -58.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -54.78 -47.01 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.9 mt-30 -59.36 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.585 HG21 HD22 ' A' ' 66' ' ' LEU . 93.9 t -51.76 -56.17 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -42.44 -51.5 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 18' ' ' THR . 42.9 tp -57.53 -44.62 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.685 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.9 tp -57.9 -64.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -53.78 -50.87 65.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m120 -57.57 -49.72 75.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 23.0 m -58.02 -49.99 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 -55.12 -45.75 75.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 26.2 t80 -52.53 -45.14 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -49.08 -49.52 41.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -57.88 -30.27 65.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.681 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.68 -16.14 61.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.458 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 24.1 pt -119.59 8.4 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.18 32.81 81.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -105.94 143.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -38.2 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.8 pt-20 -83.24 159.95 60.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.45 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.7 t -121.65 165.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.3 mtmt -68.29 150.79 47.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.1 t -112.04 117.9 47.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.636 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.97 68.15 5.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.9 m-85 -36.6 -58.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -41.4 -56.48 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 5.4 mmtp -47.36 -43.56 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.524 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.2 m-85 -77.62 -23.07 49.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -78.73 -57.77 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.4 mtm -68.23 -23.25 64.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.902 ' CG ' HD13 ' A' ' 85' ' ' LEU . 14.8 m80 -130.32 69.04 81.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -38.38 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.2 mp0 -83.1 -52.8 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.765 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.0 mt -112.0 119.29 37.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.585 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 39.0 p90 -150.03 -178.43 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 55' ' ' LEU . 73.4 t -128.64 138.58 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.507 HG22 HG23 ' A' ' 79' ' ' VAL . 17.7 m -118.65 155.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.65 -23.19 37.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD23 HD11 ' A' ' 76' ' ' ILE . 24.9 mt -44.71 153.74 0.46 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.971 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 141.57 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 29.92 75.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.971 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.75 141.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.9 -150.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.706 HD13 HG21 ' A' ' 46' ' ' VAL . 23.1 tp -103.81 112.87 26.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.531 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 12.3 mtt85 -160.97 167.22 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.15 132.9 9.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.498 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.96 63.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.86 -43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.4 m -59.04 -22.37 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.314 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 56' ' ' ARG . 88.3 m-85 -78.8 178.03 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.74 154.2 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -41.79 -57.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 -50.24 22.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -60.52 -60.16 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 12' ' ' VAL . 84.3 mt -39.55 -48.03 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -59.41 -57.87 11.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -62.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.827 HG23 HD11 ' A' ' 76' ' ' ILE . 83.6 mt -45.77 -52.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.5 mt -56.66 -39.42 73.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.44 -24.72 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.31 30.54 6.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.685 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.16 -63.55 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -45.57 -43.94 12.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.827 HD11 HG23 ' A' ' 69' ' ' ILE . 9.2 mt -46.1 155.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' VAL . 22.1 tt0 -170.36 129.14 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -90.33 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.585 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.3 t -84.36 132.18 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.681 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.1 mm -112.82 130.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -112.95 -44.75 3.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.765 ' O ' HD21 ' A' ' 44' ' ' LEU . 17.1 mtp180 -133.75 93.08 21.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.63 21.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.12 -22.39 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.902 HD13 ' CG ' ' A' ' 40' ' ' HIS . 73.2 mt -70.13 -45.36 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.636 HD22 ' HG2' ' A' ' 33' ' ' PRO . 60.0 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -61.92 121.5 13.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m 59.23 71.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.78 -167.53 14.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 7' ' ' GLY . 1.5 t -120.18 155.37 33.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -66.6 73.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -73.18 -2.28 58.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.508 ' HB2' HD13 ' A' ' 66' ' ' LEU . 27.0 mt -61.4 -45.3 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 22.6 mtm180 -38.1 -58.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -55.35 -48.5 74.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.486 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -57.09 -54.11 50.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.62 HG21 HD22 ' A' ' 66' ' ' LEU . 84.6 t -49.72 -57.15 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 34.9 tp -57.09 -46.34 82.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -55.62 -64.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -51.92 -56.81 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m120 -53.43 -55.71 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -50.71 -50.3 55.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -55.63 -47.88 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 86' ' ' LEU . 26.5 t80 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.6 -50.27 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.98 -28.24 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.688 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.47 -16.45 60.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.54 HD11 HG21 ' A' ' 30' ' ' VAL . 22.8 pt -118.2 3.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.34 29.79 65.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -100.86 149.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -39.06 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.9 pt-20 -86.68 165.68 31.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.0 Cg_endo -75.0 138.93 23.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 26' ' ' ILE . 55.1 t -124.87 165.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' N ' HG12 ' A' ' 30' ' ' VAL . 4.3 mtmp? -68.99 149.83 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.4 t -114.52 116.01 44.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.629 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 70.98 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.5 m-85 -37.32 -59.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 p -40.73 -56.28 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 10.0 mmtt -47.51 -42.8 23.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.5 m-85 -78.64 -22.88 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.4 mt -79.07 -57.53 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.4 mtm -68.41 -22.84 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.981 ' CG ' HD13 ' A' ' 85' ' ' LEU . 13.7 m80 -130.36 68.9 81.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.7 14.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -27.98 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -92.15 -54.51 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.1 mt -113.28 118.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.9 p90 -149.76 -179.87 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 55' ' ' LEU . 83.1 t -125.79 139.58 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG22 HG23 ' A' ' 79' ' ' VAL . 17.2 m -119.69 153.75 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.8 -26.26 25.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 76' ' ' ILE . 37.8 mt -41.23 154.92 0.22 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.973 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -173.07 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -81.94 141.6 33.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.5 29.72 75.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.973 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.87 142.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.94 -151.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 46' ' ' VAL . 27.7 tp -100.76 118.61 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt180 -168.3 168.29 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 1.3 mtt180 -51.63 135.29 34.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.521 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.79 3.46 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.432 1.753 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -146.04 -46.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.31 -29.4 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 85.4 m-85 -73.37 169.11 17.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -105.38 153.97 17.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.05 -57.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.12 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -60.8 -58.56 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.62 HD22 HG21 ' A' ' 12' ' ' VAL . 85.9 mt -40.09 -51.94 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' GLU . 95.2 mtt-85 -55.76 -57.55 11.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -40.33 -59.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.878 HG23 HD11 ' A' ' 76' ' ' ILE . 22.7 mt -50.48 -51.67 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 11' ' ' GLN . 64.7 mt -57.41 -33.04 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.6 mt-10 -76.19 -25.64 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.59 27.77 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.682 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.91 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.004 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -47.63 -39.73 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.7 m -71.27 -47.39 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.878 HD11 HG23 ' A' ' 69' ' ' ILE . 7.8 mt -47.04 153.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.2 tt0 -170.41 130.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 32' ' ' VAL . 5.5 m-85 -91.7 99.07 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.3 t -85.66 130.74 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.688 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.3 mm -108.89 131.03 60.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 -42.5 3.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 44' ' ' LEU . 8.8 mtp85 -136.92 93.82 13.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.85 20.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.73 -23.76 60.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.981 HD13 ' CG ' ' A' ' 40' ' ' HIS . 82.3 mt -68.53 -45.38 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.648 HD21 HD13 ' A' ' 44' ' ' LEU . 27.9 mt -46.42 -47.12 19.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.3 p -83.07 89.52 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -151.58 152.0 32.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -159.71 -164.87 15.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.52 148.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.77 171.82 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -98.19 146.49 31.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.34 32.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.8 p -77.84 140.85 39.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.36 170.48 34.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.4 p -163.02 161.3 25.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -113.36 147.97 36.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.059 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 p -80.97 118.65 22.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -152.55 137.62 17.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.18 176.28 20.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -40.08 -84.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 0.772 . . . . 0.0 109.945 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -99.32 75.74 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.43 -2.43 54.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 70' ' ' LEU . 33.1 mt -58.04 -45.89 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -39.01 -58.72 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.3 -44.66 72.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.1 mt-30 -61.97 -60.0 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG21 HD22 ' A' ' 66' ' ' LEU . 97.1 t -44.15 -56.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -41.31 -52.1 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.6 tp -58.02 -45.3 87.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.692 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.6 tp -56.22 -60.32 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.17 -52.8 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.0 m120 -55.54 -44.73 77.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 19.4 m -61.9 -61.98 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -44.48 -45.17 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.4 t80 -52.0 -44.76 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.31 -49.92 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -58.33 -29.54 66.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.655 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.57 -13.17 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.1 pt -122.13 3.95 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.46 28.63 67.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 30' ' ' VAL . 2.1 mt -101.5 146.75 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 -38.84 16.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.4 pt-20 -85.94 166.01 31.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -75.03 139.61 24.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.676 HG21 HD12 ' A' ' 26' ' ' ILE . 55.1 t -126.49 165.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.9 mtmp? -66.22 145.33 55.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.641 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -109.55 115.83 55.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.96 63.99 5.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.641 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.9 m-85 -36.49 -62.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.7 m -39.0 -54.51 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.3 mmmt -48.63 -46.18 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' HB3' HD23 ' A' ' 55' ' ' LEU . 36.2 m-85 -73.52 -21.06 60.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.75 -56.04 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 74.7 mtm -70.24 -22.24 62.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.818 ' CG ' HD13 ' A' ' 85' ' ' LEU . 24.3 m-70 -131.11 67.89 81.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -19.6 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 85' ' ' LEU . 6.1 mp0 -100.94 -51.65 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.762 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.0 mt -116.52 114.97 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 29.4 p90 -145.24 -178.92 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.723 HG23 HD22 ' A' ' 55' ' ' LEU . 92.8 t -126.42 140.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 79' ' ' VAL . 16.1 m -119.77 152.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.6 -25.85 26.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 76' ' ' ILE . 34.2 mt -40.85 155.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.968 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -87.05 139.15 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.07 29.73 74.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.968 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.6 mt -144.68 142.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.443 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -136.71 -151.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.723 HD22 HG23 ' A' ' 46' ' ' VAL . 33.8 tp -100.46 115.29 29.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 11.0 mtt85 -167.76 164.36 14.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.46 134.19 5.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.517 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 51.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -143.73 -46.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -56.55 -26.51 55.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CE1' HG23 ' A' ' 53' ' ' ILE . 97.3 m-85 -79.33 159.67 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -96.74 156.62 21.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.83 -60.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.52 -45.91 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.81 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 12' ' ' VAL . 79.3 mt -40.09 -50.87 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -56.4 -56.17 24.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.18 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.53 -59.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.811 HG23 ' CD1' ' A' ' 76' ' ' ILE . 37.4 mt -50.36 -55.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.5 HD12 HD22 ' A' ' 8' ' ' LEU . 59.2 mt -52.87 -35.13 57.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -26.06 60.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.21 27.76 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.692 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.74 -67.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' N ' ' OG ' ' A' ' 73' ' ' SER . 65.1 m-80 -45.36 -35.86 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -72.9 -47.27 47.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.811 ' CD1' HG23 ' A' ' 69' ' ' ILE . 11.2 mt -48.85 155.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -170.51 131.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -91.7 99.31 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.8 t -86.74 131.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.655 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.9 mm -109.05 130.87 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 -35.55 5.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.762 ' O ' HD21 ' A' ' 44' ' ' LEU . 7.4 mtt180 -144.9 94.69 5.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -15.86 20.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.21 -25.88 64.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.818 HD13 ' CG ' ' A' ' 40' ' ' HIS . 76.2 mt -67.05 -51.18 57.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.688 HD21 HD13 ' A' ' 44' ' ' LEU . 53.1 mt -39.39 -77.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 87' ' ' THR . 3.6 t -68.42 85.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.73 179.75 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.77 -85.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 90' ' ' VAL . 3.6 p -96.55 114.41 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -124.72 95.68 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.88 90.44 4.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.62 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 t -124.48 162.59 23.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.18 100.07 1.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.73 2.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.8 m -120.35 82.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.0 m -42.88 -60.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.33 96.9 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 0.73 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -42.77 146.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.45 78.85 0.65 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -102.74 -60.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.032 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.497 ' OG ' HD11 ' A' ' 63' ' ' ILE . 72.1 m -122.56 72.03 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.4 -6.87 43.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.7 mt -56.59 -49.14 75.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 15.1 mtm180 -38.35 -54.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 mt-30 -62.4 -53.86 48.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 58' ' ' PRO . 88.5 t -48.05 -53.0 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -46.8 -54.45 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' THR . 43.0 tp -55.48 -46.11 76.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.665 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.8 tp -54.71 -56.94 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -61.53 -56.71 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.8 m120 -51.81 -43.52 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 31.2 m -64.59 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -43.28 -44.32 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 22.9 t80 -52.94 -45.71 67.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.7 -49.04 20.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -58.25 -32.04 67.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.694 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -71.52 -14.96 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 19.8 pt -120.37 4.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.06 31.47 69.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.615 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -101.83 150.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.25 -35.26 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -90.14 164.08 29.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 136.38 20.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.615 HG21 HD12 ' A' ' 26' ' ' ILE . 55.2 t -122.59 165.35 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.597 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.8 mtmt -65.9 147.11 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -111.0 115.91 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.617 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.02 66.1 6.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.569 ' CD1' HG12 ' A' ' 32' ' ' VAL . 21.1 m-85 -36.29 -57.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -42.48 -56.43 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 15.7 mmtt -46.87 -43.81 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.489 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.2 m-85 -76.75 -23.54 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.7 mt -78.84 -56.97 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.8 mtm -68.96 -22.8 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.906 ' CG ' HD13 ' A' ' 85' ' ' LEU . 22.8 m-70 -130.61 68.67 81.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -35.12 27.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.41 -53.43 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.2 mt -111.7 118.53 35.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 33.7 p90 -148.89 -178.67 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.829 HG23 HD22 ' A' ' 55' ' ' LEU . 77.9 t -128.88 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 79' ' ' VAL . 17.3 m -119.0 155.7 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.08 -22.13 42.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 76' ' ' ILE . 26.1 mt -47.83 154.79 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.979 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -176.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.99 142.59 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.17 29.8 76.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.979 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.02 142.42 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.31 -153.01 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.829 HD22 HG23 ' A' ' 46' ' ' VAL . 32.3 tp -101.14 116.92 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 19.0 mtt85 -167.72 165.68 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.44 138.13 50.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 56.8 4.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.462 ' CG ' ' N ' ' A' ' 60' ' ' CYS . 15.8 p-10 -138.87 -46.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.462 ' N ' ' CG ' ' A' ' 59' ' ' ASN . 37.6 t -64.28 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.332 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.655 ' CE1' HG23 ' A' ' 53' ' ' ILE . 96.5 m-85 -69.84 160.95 30.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.54 157.13 17.65 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.497 HD11 ' OG ' ' A' ' 6' ' ' SER . 1.1 mp -40.22 -56.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.39 16.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -59.63 -56.98 15.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.483 HD22 HG21 ' A' ' 12' ' ' VAL . 86.8 mt -40.18 -50.02 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -59.43 -56.96 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.01 -65.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.693 HG23 ' CD1' ' A' ' 76' ' ' ILE . 43.1 mt -43.54 -53.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.432 HD12 HD22 ' A' ' 8' ' ' LEU . 80.8 mt -55.69 -39.14 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -70.68 -20.76 62.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.48 25.68 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.665 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.01 -67.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -43.82 -43.16 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -64.62 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.7 HD11 HD23 ' A' ' 49' ' ' LEU . 11.6 mt -46.76 155.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.7 tt0 -170.31 127.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -89.26 99.46 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -85.86 130.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.694 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.5 mm -109.89 131.02 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.6 -44.95 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.778 ' O ' HD21 ' A' ' 44' ' ' LEU . 23.0 mtt180 -135.92 94.63 14.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.91 20.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.15 -25.63 59.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.906 HD13 ' CG ' ' A' ' 40' ' ' HIS . 53.4 mt -67.6 -45.05 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.617 HD22 ' CG ' ' A' ' 33' ' ' PRO . 75.8 mt -41.64 -65.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 87' ' ' THR . 7.0 t -81.99 83.81 7.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -78.07 -53.82 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.0 120.17 0.71 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.04 155.69 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.422 0.719 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.97 89.34 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.6 119.44 30.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.38 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.88 143.66 50.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.28 65.51 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.584 1.178 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 125.18 9.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.18 142.71 28.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.3 t -93.7 -58.62 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -111.26 -57.43 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -86.3 138.8 31.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.09 126.86 39.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.83 -62.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -113.44 71.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.07 -9.93 37.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' A' ' 66' ' ' LEU . 33.7 mt -52.41 -48.05 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -38.26 -59.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -52.54 -42.14 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.3 mt-30 -65.22 -51.18 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG21 HD22 ' A' ' 66' ' ' LEU . 94.5 t -52.24 -51.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.57 -51.01 12.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.6 tp -58.65 -46.38 87.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.6 tp -55.22 -60.02 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -57.04 -56.96 14.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.3 m120 -52.54 -48.43 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 35.9 m -59.25 -54.54 45.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 49.0 mmt-85 -50.09 -46.09 53.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -52.06 -45.05 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.16 -48.74 34.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -59.67 -28.4 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.665 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.93 -17.76 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.48 HD11 HG21 ' A' ' 30' ' ' VAL . 21.4 pt -116.48 3.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 71.7 30.04 66.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 30' ' ' VAL . 1.8 mt -98.74 154.51 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.429 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 1.3 p -92.65 -35.87 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.563 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.6 mm-40 -91.06 165.65 21.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.5 21.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 26' ' ' ILE . 55.9 t -124.05 165.85 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 11.7 mtmt -67.41 148.19 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.537 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -111.45 117.05 49.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.01 66.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.537 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.0 m-85 -35.95 -56.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 3.1 m -43.28 -56.47 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.6 mmtt -46.76 -43.02 17.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.526 ' HB3' HD23 ' A' ' 55' ' ' LEU . 33.7 m-85 -77.51 -24.3 50.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.4 mt -76.38 -54.02 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.2 mtm -72.02 -22.41 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.949 ' CG ' HD13 ' A' ' 85' ' ' LEU . 63.7 m-70 -132.16 66.38 77.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.635 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.9 20.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.27 -48.36 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.7 mm-40 -79.87 -51.04 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' O ' ' A' ' 82' ' ' ARG . 5.6 mt -105.69 107.06 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.0 p90 -143.86 -178.4 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.63 HG23 HD22 ' A' ' 55' ' ' LEU . 96.1 t -127.83 144.97 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 79' ' ' VAL . 14.4 m -123.7 153.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.33 -26.86 23.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.75 HD23 HD11 ' A' ' 76' ' ' ILE . 27.9 mt -43.58 153.78 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.944 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 172.72 15.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.5 140.32 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.55 29.8 71.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.944 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -148.34 142.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.08 -151.14 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.63 HD22 HG23 ' A' ' 46' ' ' VAL . 41.0 tp -101.12 118.24 36.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 18.4 mtt180 -167.24 166.98 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.69 134.85 26.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.07 56.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -145.69 -47.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.1 t -58.39 -35.67 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CE1' HG23 ' A' ' 53' ' ' ILE . 94.4 m-85 -65.58 164.73 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.68 155.27 17.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.62 -56.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.78 -50.99 31.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.6 mttt -59.39 -59.13 5.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 12' ' ' VAL . 86.3 mt -39.9 -52.56 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' GLU . 6.3 mtt180 -54.36 -59.15 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -61.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.894 HG23 HD11 ' A' ' 76' ' ' ILE . 65.0 mt -48.6 -54.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.5 mt -55.76 -33.79 64.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.9 mt-10 -75.69 -26.8 57.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.55 24.34 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.27 -63.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -46.19 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -65.8 -45.65 81.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.894 HD11 HG23 ' A' ' 69' ' ' ILE . 8.5 mt -48.1 153.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.9 tt0 -170.46 131.65 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -92.51 98.2 11.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.5 t -84.37 130.72 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.665 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.3 mm -109.1 130.92 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -115.09 -41.89 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.775 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -134.93 92.51 18.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.06 20.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.71 -25.57 64.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.949 HD13 ' CG ' ' A' ' 40' ' ' HIS . 77.0 mt -68.16 -47.07 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' A' ' 33' ' ' PRO . 74.5 mt -41.65 -61.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 87' ' ' THR . 3.8 t -84.05 89.28 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.368 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -57.48 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.93 122.17 2.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.171 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.1 p -165.65 134.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.91 175.05 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.62 119.45 4.98 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 67.62 5.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.53 -162.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.35 80.47 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.163 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.35 31.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.1 m -166.73 108.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.1 p -132.08 103.28 6.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 60.09 168.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.974 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.01 126.46 14.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.08 -129.33 1.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -75.77 -63.51 1.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 110.032 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 p 41.31 74.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.78 -3.29 54.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 23.4 mt -62.15 -46.16 90.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.32 -52.56 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -60.29 -43.18 96.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.7 mt-30 -64.23 -60.07 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.593 HG21 HD22 ' A' ' 66' ' ' LEU . 97.3 t -42.81 -59.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -43.59 -54.45 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.525 HD11 ' HG3' ' A' ' 29' ' ' PRO . 23.2 tp -55.11 -46.15 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.576 HD21 HD12 ' A' ' 76' ' ' ILE . 37.6 tp -55.65 -68.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -46.43 -53.79 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.3 m120 -57.6 -42.31 82.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 15.9 m -62.77 -55.02 30.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 20.7 mmm180 -51.22 -44.28 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.3 t80 -53.01 -44.51 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.44 24.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -59.66 -28.57 67.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.72 -18.45 60.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.477 HD11 HG21 ' A' ' 30' ' ' VAL . 21.9 pt -115.16 1.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.46 29.31 64.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.78 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -97.44 156.65 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.1 p -93.09 -38.79 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -91.12 169.7 11.11 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.525 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 142.97 28.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.78 HG21 HD12 ' A' ' 26' ' ' ILE . 55.0 t -130.19 165.99 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 12.6 mtmt -69.84 144.33 52.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -104.83 116.98 59.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.0 65.28 6.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.561 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.4 m-85 -36.32 -59.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.1 m -40.93 -56.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 51.3 mmtt -46.48 -44.68 17.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -76.28 -23.95 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.9 mt -75.67 -59.24 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -67.62 -23.25 65.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.891 ' CG ' HD13 ' A' ' 85' ' ' LEU . 10.1 m80 -129.57 69.35 81.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -26.95 10.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -31.27 56.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.64 -54.07 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.5 mt -113.7 120.76 41.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 31.5 p90 -148.61 178.77 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.903 HG23 HD22 ' A' ' 55' ' ' LEU . 67.5 t -122.63 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.55 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.5 m -129.39 146.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.85 -24.0 29.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.7 mt -43.99 153.35 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.983 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 166.68 28.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.86 142.12 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.06 29.99 70.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.983 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.7 mt -148.14 142.16 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.93 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.903 HD22 HG23 ' A' ' 46' ' ' VAL . 24.3 tp -105.04 103.45 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 16.8 mtt180 -151.38 174.38 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.39 146.69 97.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 1.51 7.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.48 23.86 13.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 23.05 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 108.329 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 33.6 m-85 -128.09 179.93 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.68 162.53 13.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -51.47 -68.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.501 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -40.96 -40.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 22.4 mttt -66.71 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.593 HD22 HG21 ' A' ' 12' ' ' VAL . 88.6 mt -39.97 -51.49 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LYS . 6.7 mtt-85 -55.82 -57.67 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.73 -63.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.556 HG23 HD11 ' A' ' 76' ' ' ILE . 57.7 mt -43.01 -54.81 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.7 mt -55.69 -47.52 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.71 -16.77 58.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.98 19.83 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.571 ' HB2' HD13 ' A' ' 15' ' ' LEU . 28.5 p -55.2 -56.55 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -55.08 -49.19 72.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 m -59.0 -47.27 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.576 HD12 HD21 ' A' ' 15' ' ' LEU . 13.7 mt -45.72 155.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.55 ' HB3' HG23 ' A' ' 47' ' ' VAL . 30.9 tt0 -170.79 125.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 6.2 m-85 -89.53 97.25 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -83.24 130.17 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.609 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.2 mm -110.35 130.6 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 -38.19 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.721 ' O ' HD21 ' A' ' 44' ' ' LEU . 26.9 mtp180 -141.64 94.59 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.35 20.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -60.86 -21.13 62.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.891 HD13 ' CG ' ' A' ' 40' ' ' HIS . 91.7 mt -72.1 -43.14 65.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.697 HD21 HD13 ' A' ' 44' ' ' LEU . 25.5 mt -50.84 -46.54 60.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 78.1 p -76.42 88.27 3.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -75.92 141.7 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.54 -118.96 0.8 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 p -175.73 126.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.88 120.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.39 129.43 89.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 79.12 2.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.2 150.67 18.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.5 126.09 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.62 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 p -118.0 143.64 46.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.76 143.75 19.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.38 124.32 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.04 -55.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.68 -165.89 31.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -50.66 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -121.68 74.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.23 -3.18 56.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' HB2' HD13 ' A' ' 66' ' ' LEU . 35.9 mt -56.34 -44.53 80.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mtm105 -40.31 -56.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -55.37 -40.44 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HB2' HD11 ' A' ' 70' ' ' LEU . 20.9 mt-30 -65.47 -56.41 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 66' ' ' LEU . 97.2 t -46.2 -52.38 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.87 -57.26 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' A' ' 29' ' ' PRO . 24.9 tp -52.64 -46.94 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.745 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.4 tp -56.75 -72.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -43.08 -52.06 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m-20 -59.4 -43.15 93.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' LEU . 8.7 m -61.35 -55.5 30.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 19.7 mmm180 -50.12 -45.06 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 20.0 t80 -51.53 -46.39 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.84 -49.82 19.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -58.33 -30.05 66.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.719 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.9 -14.9 61.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -120.7 5.77 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.92 30.84 69.91 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -103.08 145.28 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.36 -38.07 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -85.01 163.15 47.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.02 139.31 24.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.504 HG21 HD12 ' A' ' 26' ' ' ILE . 55.7 t -126.58 165.83 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 11.3 mttt -67.91 145.14 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.646 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -105.59 115.12 62.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 63.77 6.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.646 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.3 m-85 -36.23 -61.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 p -39.33 -55.0 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 24.1 mmmt -48.65 -44.52 37.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' TYR . 38.6 m-85 -76.01 -20.76 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -79.66 -56.01 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.19 -22.91 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.711 ' CG ' HD13 ' A' ' 85' ' ' LEU . 31.9 m-70 -130.52 68.69 81.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -23.9 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' HD11 ' A' ' 85' ' ' LEU . 3.0 mp0 -96.49 -53.83 3.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.711 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.2 mt -114.4 115.83 27.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 27.4 p90 -144.21 177.83 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.887 HG23 HD22 ' A' ' 55' ' ' LEU . 46.4 t -121.5 145.07 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 77' ' ' GLN . 3.5 m -129.94 144.81 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.89 21.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -43.45 153.48 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.99 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.97 174.85 12.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.72 141.11 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.04 29.8 72.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.99 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -147.78 138.51 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.94 -150.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.887 HD22 HG23 ' A' ' 46' ' ' VAL . 37.6 tp -106.4 103.5 12.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 15.1 mtt180 -153.79 156.94 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.25 141.25 1.92 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.97 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.85 -45.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 52.48 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.682 ' HE2' HG23 ' A' ' 53' ' ' ILE . 58.7 m-85 -144.79 154.94 43.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -90.33 149.92 20.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.54 -52.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -42.95 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLY . 13.7 mttt -60.37 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 8' ' ' LEU . 81.4 mt -40.47 -51.55 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.7 mtp180 -54.24 -60.04 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -39.14 -58.5 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.807 HG23 HD11 ' A' ' 76' ' ' ILE . 87.9 mt -48.93 -60.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 11' ' ' GLN . 87.5 mt -51.85 -37.28 51.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.01 -29.59 67.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -99.64 13.18 34.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.745 ' HB2' HD13 ' A' ' 15' ' ' LEU . 86.1 p -50.59 -23.31 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -80.34 -55.9 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -59.69 -41.23 90.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.807 HD11 HG23 ' A' ' 69' ' ' ILE . 8.6 mt -45.37 148.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HB3' HG23 ' A' ' 47' ' ' VAL . 29.2 tt0 -170.52 125.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 19' ' ' ARG . 6.9 m-85 -87.59 99.76 12.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.482 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.1 t -86.04 130.39 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.719 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 10.2 mm -110.09 130.83 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.98 -37.12 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.711 ' O ' HD21 ' A' ' 44' ' ' LEU . 6.5 mtt180 -142.81 94.69 6.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.21 -26.26 66.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.711 HD13 ' CG ' ' A' ' 40' ' ' HIS . 33.6 mt -67.57 -49.89 61.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.654 HD21 HD13 ' A' ' 44' ' ' LEU . 52.0 mt -41.15 -52.71 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.3 p -66.97 85.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.72 74.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.78 101.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 90' ' ' VAL . 13.1 p -172.28 105.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.52 61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 63.35 119.73 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.84 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.2 m -67.44 -77.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.11 176.96 47.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 136.58 20.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -170.98 124.8 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.3 m 59.88 154.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.12 118.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -169.32 -59.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.91 -169.51 45.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -70.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -80.68 73.11 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.77 -5.21 50.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HB2' HD13 ' A' ' 66' ' ' LEU . 21.7 mt -62.34 -47.1 85.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.1 mtm105 -37.82 -58.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.06 -48.95 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.621 ' HB2' HD11 ' A' ' 70' ' ' LEU . 2.6 mt-30 -56.7 -53.64 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 HD22 ' A' ' 66' ' ' LEU . 95.8 t -51.31 -60.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.49 -50.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 18' ' ' THR . 29.7 tp -58.49 -47.12 85.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.7 tp -54.81 -61.69 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -55.72 -57.2 12.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 2.5 m-80 -52.05 -47.07 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 25.2 m -60.41 -56.91 15.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -49.07 -45.15 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 24.0 t80 -52.29 -45.47 65.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.14 -50.14 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -59.23 -28.46 66.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.738 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.12 -13.13 60.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.0 pt -121.1 -0.85 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 77.61 27.71 58.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.646 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -99.77 150.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.98 -39.04 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -86.8 166.0 29.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.03 139.03 23.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.646 HG21 HD12 ' A' ' 26' ' ' ILE . 54.4 t -125.48 166.03 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.8 mtmp? -66.44 147.58 53.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.601 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -111.63 115.1 51.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.641 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 66.2 6.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.7 m-85 -35.61 -56.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.67 -55.73 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.5 mmtt -48.27 -42.33 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.0 m-85 -78.4 -22.78 47.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.3 mt -78.83 -57.44 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.82 -22.86 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.796 ' CG ' HD13 ' A' ' 85' ' ' LEU . 41.5 m-70 -129.86 69.26 81.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -15.2 21.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.2 -38.77 16.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.7 mp0 -83.17 -54.38 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.7 mt -111.74 117.67 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.9 p90 -149.05 179.5 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 HD22 ' A' ' 55' ' ' LEU . 79.8 t -123.33 140.29 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 79' ' ' VAL . 3.5 m -122.98 149.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 103.86 -27.54 19.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.855 HD23 HD11 ' A' ' 76' ' ' ILE . 17.3 mt -40.51 154.5 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.984 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.08 178.08 7.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 140.57 43.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.65 73.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.984 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.0 mt -147.06 141.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.77 -150.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.79 HD22 HG23 ' A' ' 46' ' ' VAL . 30.4 tp -102.96 111.11 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt-85 -160.96 168.43 24.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -47.28 132.93 9.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.95 56.81 4.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.7 p30 -156.36 -44.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 11.4 t -58.94 -18.09 30.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.362 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 76.5 m-85 -84.48 173.19 11.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -104.55 152.79 17.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.06 -58.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.63 -45.65 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLY . 10.7 mttt -63.5 -61.65 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.562 HD22 HG21 ' A' ' 12' ' ' VAL . 83.2 mt -40.02 -51.79 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -53.25 -59.59 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -39.87 -63.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' A' ' 76' ' ' ILE . 61.4 mt -40.31 -56.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 11' ' ' GLN . 84.0 mt -55.46 -42.27 74.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.7 mt-10 -69.85 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -114.73 27.81 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.662 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -66.0 -67.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -41.4 -37.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -49.1 20.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.855 HD11 HD23 ' A' ' 49' ' ' LEU . 5.0 mt -46.52 153.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -170.59 125.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.96 99.7 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 78.1 t -85.89 129.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.738 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.1 mm -108.4 130.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.42 -38.24 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.769 ' O ' HD21 ' A' ' 44' ' ' LEU . 47.5 mtp180 -141.75 94.27 7.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.47 19.56 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -59.77 -21.99 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.796 HD13 ' CG ' ' A' ' 40' ' ' HIS . 91.3 mt -70.97 -45.96 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.641 HD22 ' HG2' ' A' ' 33' ' ' PRO . 65.1 mt -42.05 -60.98 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 87' ' ' THR . 4.2 t -85.9 82.0 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -100.7 -55.43 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.84 170.52 27.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.6 p -171.22 152.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.11 163.63 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.35 93.77 2.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.57 20.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.3 t -149.39 -47.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.9 156.88 14.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.2 t -123.53 157.71 32.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.5 p -112.21 129.25 56.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -152.82 -59.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 48.99 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.45 103.87 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.71 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p 45.43 65.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.8 -7.78 44.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 66' ' ' LEU . 30.2 mt -57.9 -46.75 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' LEU . 13.1 mtm180 -37.98 -57.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -55.64 -46.41 77.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HB2' HD11 ' A' ' 70' ' ' LEU . 2.1 mt-30 -59.78 -55.76 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.609 HG21 HD22 ' A' ' 66' ' ' LEU . 95.9 t -48.12 -54.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.38 -53.51 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -56.19 -46.63 79.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' A' ' 73' ' ' SER . 35.4 tp -55.96 -62.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -55.82 -54.83 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.5 m120 -53.45 -49.51 67.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 22.8 m -58.01 -58.04 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.1 mmt180 -46.18 -48.52 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.562 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -50.09 -45.82 52.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.77 -49.92 27.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -58.69 -29.08 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.75 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.58 -15.56 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.478 HD11 HG21 ' A' ' 30' ' ' VAL . 23.1 pt -119.44 3.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.45 30.49 64.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.576 HD12 HG21 ' A' ' 30' ' ' VAL . 2.1 mt -103.41 145.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -39.05 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 7.6 pt-20 -84.49 163.13 48.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.01 136.57 20.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG21 HD12 ' A' ' 26' ' ' ILE . 55.4 t -122.47 166.01 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 14.2 mtmt -68.0 144.96 54.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.558 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -106.62 115.8 60.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.588 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.99 67.42 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.2 m-85 -37.23 -57.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.24 -54.08 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 52.3 mmtt -50.76 -39.36 52.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.518 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.9 m-85 -81.83 -19.93 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.1 mt -81.45 -54.77 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -71.14 -22.3 62.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.881 ' CG ' HD13 ' A' ' 85' ' ' LEU . 39.3 m-70 -131.8 67.27 79.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.18 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.94 -48.92 9.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 61.9 mm-40 -78.31 -52.2 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.761 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.7 mt -105.63 114.47 28.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 37.1 p90 -149.01 -178.53 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.729 HG23 HD22 ' A' ' 55' ' ' LEU . 80.0 t -127.74 143.47 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.477 HG22 HG23 ' A' ' 79' ' ' VAL . 15.9 m -124.02 152.03 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -23.58 33.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.163 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 76' ' ' ILE . 62.8 mt -44.3 154.53 0.39 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.974 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 -177.77 3.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.62 139.91 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.81 74.02 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.974 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.8 mt -146.31 141.86 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.12 -151.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.729 HD22 HG23 ' A' ' 46' ' ' VAL . 30.4 tp -102.62 115.66 31.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 6.3 mtt180 -165.25 166.91 18.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -45.45 132.78 6.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.539 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.07 55.81 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 6.3 p30 -155.26 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 34.4 t -58.05 -18.73 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 85.7 m-85 -85.08 171.74 11.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.71 154.58 17.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.95 -62.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.59 -47.04 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -61.66 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 12' ' ' VAL . 83.3 mt -40.16 -49.9 2.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -55.97 -58.49 7.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -40.01 -63.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.834 HG23 HD11 ' A' ' 76' ' ' ILE . 71.6 mt -45.27 -53.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 11' ' ' GLN . 71.6 mt -55.78 -36.06 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -73.53 -23.25 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.83 28.8 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.702 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.68 -67.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' OG ' ' A' ' 73' ' ' SER . 1.8 m120 -42.67 -38.94 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.8 m -70.7 -51.0 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 69' ' ' ILE . 9.5 mt -43.89 154.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' VAL . 9.4 tt0 -170.61 129.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.2 m-85 -90.65 99.48 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.0 t -85.43 131.16 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.75 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.7 mm -110.38 130.8 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -114.38 -42.6 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.761 ' O ' HD21 ' A' ' 44' ' ' LEU . 5.0 mtp85 -135.99 93.42 15.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.24 -25.63 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.881 HD13 ' CG ' ' A' ' 40' ' ' HIS . 94.7 mt -68.28 -44.21 76.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.588 HD22 ' CG ' ' A' ' 33' ' ' PRO . 75.1 mt -42.05 -29.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.593 HG23 ' H ' ' A' ' 88' ' ' GLU . 0.7 OUTLIER -168.84 -59.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.593 ' H ' HG23 ' A' ' 87' ' ' THR . 10.2 pt-20 -174.52 -40.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.14 -157.0 27.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 52.0 t -62.78 106.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER 169.0 113.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -169.71 80.44 0.65 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.42 136.51 12.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.19 97.98 0.95 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.96 5.57 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 m -153.08 135.42 15.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.5 p 179.98 136.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m 47.43 78.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t 60.49 80.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.76 -170.9 24.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t 60.38 117.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 p 46.74 63.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.46 -16.61 16.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 66' ' ' LEU . 10.8 mt -53.56 -49.26 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -37.67 -53.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -50.48 73.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' HB2' HD11 ' A' ' 70' ' ' LEU . 7.8 mt-30 -54.01 -58.6 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.654 HG21 HD22 ' A' ' 66' ' ' LEU . 94.0 t -45.28 -60.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -39.64 -51.14 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -58.17 -44.68 88.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.9 tp -57.84 -63.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -50.6 -49.15 57.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.8 m120 -60.97 -60.01 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -45.43 -45.86 13.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 59.0 mmt-85 -61.22 -46.82 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -51.73 -45.5 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -49.12 -49.54 41.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.46 -27.42 66.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.762 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.75 -17.36 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -116.98 1.82 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.28 30.9 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -102.43 145.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -39.19 19.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -84.39 162.05 52.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 137.92 22.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 54.4 t -124.71 165.93 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 24.1 mtmt -68.85 151.11 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.532 HG12 ' CD1' ' A' ' 34' ' ' TYR . 2.9 t -111.1 117.24 50.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.98 68.39 5.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.532 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.7 m-85 -36.96 -59.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -41.13 -57.11 2.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.8 mmtt -45.73 -45.68 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.431 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.6 m-85 -74.99 -24.54 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.1 mt -77.41 -57.85 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.2 mtm -68.51 -22.88 64.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 85' ' ' LEU . 12.9 m80 -130.37 68.95 81.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -19.49 17.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.13 -32.71 24.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.3 mp0 -88.18 -50.67 6.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.4 mt -116.66 119.27 34.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.6 p90 -147.68 -178.55 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.726 HG23 HD22 ' A' ' 55' ' ' LEU . 39.7 t -124.38 146.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 77' ' ' GLN . 3.0 m -131.01 143.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 108.6 -27.24 13.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.827 HD23 HD11 ' A' ' 76' ' ' ILE . 41.6 mt -40.59 154.06 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.97 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 178.81 6.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.02 142.33 43.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.38 29.68 75.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.97 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.4 mt -147.26 144.7 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.411 ' C ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -138.09 -152.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 46' ' ' VAL . 36.9 tp -101.36 111.58 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.528 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.0 mtt85 -161.88 165.44 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -44.6 132.99 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.96 59.94 5.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.99 -44.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.45 -18.23 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 89.3 m-85 -85.23 174.23 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.18 154.54 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -41.49 -61.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.54 -49.05 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 51.9 mttt -58.29 -62.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.654 HD22 HG21 ' A' ' 12' ' ' VAL . 81.7 mt -39.05 -52.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -52.72 -59.46 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.25 -64.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.753 HG23 HD11 ' A' ' 76' ' ' ILE . 97.2 mt -43.11 -54.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 11' ' ' GLN . 78.4 mt -55.02 -39.47 69.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' LYS . 8.4 mt-10 -71.29 -19.86 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.14 29.07 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.677 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.32 -65.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.82 -47.65 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -51.9 64.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.827 HD11 HD23 ' A' ' 49' ' ' LEU . 6.5 mt -42.72 153.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.467 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.6 tt0 -170.32 130.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -91.12 97.76 11.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.9 t -82.78 130.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.762 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.9 mm -109.4 130.52 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -38.28 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 44' ' ' LEU . 25.3 mtt180 -143.33 95.86 5.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.31 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.5 -21.57 62.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 40' ' ' HIS . 80.7 mt -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' A' ' 33' ' ' PRO . 55.0 mt -41.83 -50.24 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.7 p -86.1 -145.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 60.93 84.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.45 112.54 0.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.4 p -139.64 147.51 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.31 169.42 13.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.28 89.79 0.58 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -49.92 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.72 112.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.65 80.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 m -164.01 162.11 23.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.76 109.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.031 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -101.78 158.42 16.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.43 148.66 26.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -118.48 4.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -92.36 158.92 15.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 9' ' ' ARG . 93.9 p -74.79 75.4 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.69 -5.23 50.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 66' ' ' LEU . 23.5 mt -62.51 -46.21 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.489 ' CZ ' ' OG ' ' A' ' 6' ' ' SER . 5.4 mtm-85 -38.12 -54.69 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.8 -47.56 84.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.8 mt-30 -58.14 -53.61 56.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG21 HD22 ' A' ' 66' ' ' LEU . 85.6 t -50.91 -56.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -42.59 -51.8 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 18' ' ' THR . 35.2 tp -57.46 -45.98 84.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.1 tp -55.78 -61.67 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -55.77 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.0 m120 -54.07 -47.86 71.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 21.4 m -58.91 -54.43 47.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.439 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmt-85 -51.28 -45.54 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.9 t80 -51.83 -46.42 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.11 -49.28 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -58.75 -29.43 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.685 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.61 -14.52 60.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.8 pt -120.89 6.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.53 31.91 71.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -104.86 144.94 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -85.39 -38.09 19.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.9 pt-20 -83.89 160.18 58.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.03 134.05 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.6 t -120.73 166.22 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 12.9 mtmt -67.18 151.63 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.544 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -114.03 115.91 45.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 68.85 5.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.782 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.6 m-85 -36.85 -58.45 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.81 -56.07 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 16.0 mmtt -47.87 -42.17 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.8 m-85 -78.97 -23.01 44.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.9 mt -79.02 -56.92 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.12 -22.76 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.914 ' CG ' HD13 ' A' ' 85' ' ' LEU . 19.8 m-70 -129.99 69.07 81.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -40.46 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 6.9 mp0 -81.67 -52.69 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.844 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.1 mt -112.39 119.52 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.0 p90 -151.2 -175.49 5.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.713 HG23 HD22 ' A' ' 55' ' ' LEU . 69.4 t -129.33 146.71 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 79' ' ' VAL . 12.6 m -126.52 149.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 104.4 -28.61 14.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.763 HD23 HD11 ' A' ' 76' ' ' ILE . 30.2 mt -40.28 153.47 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.754 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.949 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.5 Cg_endo -74.98 170.98 19.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 140.53 53.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.65 29.92 71.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.949 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -148.28 144.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 -155.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.713 HD22 HG23 ' A' ' 46' ' ' VAL . 29.5 tp -99.14 119.14 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.4 mtt180 -170.61 164.91 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -47.24 135.06 9.23 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.526 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 53.37 3.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -144.17 -46.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.0 t -59.66 -19.66 50.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 87.0 m-85 -84.58 169.78 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -107.66 155.99 16.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.22 -55.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.53 -49.25 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -62.29 -60.59 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 12' ' ' VAL . 82.2 mt -40.26 -51.39 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -55.26 -59.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.88 -63.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.881 HG23 HD11 ' A' ' 76' ' ' ILE . 59.4 mt -44.65 -55.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.6 mt -55.07 -35.6 64.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.5 mt-10 -72.37 -26.48 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.77 28.49 8.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.696 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.23 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -46.65 -35.05 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.7 m -73.68 -48.65 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.881 HD11 HG23 ' A' ' 69' ' ' ILE . 11.5 mt -46.34 155.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.437 ' HB3' HG23 ' A' ' 47' ' ' VAL . 28.4 tt0 -170.47 128.0 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -88.96 98.71 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -84.42 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.685 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.8 mm -110.56 130.71 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -40.05 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.844 ' O ' HD21 ' A' ' 44' ' ' LEU . 20.0 mtt85 -141.79 95.6 6.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.47 20.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.98 -25.63 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.914 HD13 ' CG ' ' A' ' 40' ' ' HIS . 58.3 mt -68.5 -43.34 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 33' ' ' PRO . 70.1 mt -45.25 -49.86 12.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 64.7 p -70.84 86.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -79.93 -57.46 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.76 -158.34 31.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.69 129.88 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 78.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.34 90.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.38 4.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 p -122.57 41.56 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -168.24 106.52 0.25 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -38.51 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -175.39 -62.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -100.06 137.04 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.815 ' N ' HH22 ' A' ' 9' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.0 79.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m 67.12 105.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.38 163.59 11.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.8 -73.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -139.49 65.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.95 -18.06 10.89 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 66' ' ' LEU . 15.3 mt -51.81 -47.09 64.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.815 HH22 ' N ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -38.79 -60.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -53.01 -47.21 68.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HB2' HD11 ' A' ' 70' ' ' LEU . 7.3 mt-30 -57.99 -60.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.573 HG21 HD22 ' A' ' 66' ' ' LEU . 74.8 t -44.18 -50.99 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -46.06 -54.44 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 18' ' ' THR . 39.1 tp -54.74 -44.44 73.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 73' ' ' SER . 37.8 tp -57.94 -65.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -53.32 -50.46 64.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.6 m120 -58.03 -47.18 83.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 20.0 m -60.62 -56.53 20.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 42.5 mmt-85 -46.95 -47.6 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 19.3 t80 -50.81 -46.0 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.26 24.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -59.08 -29.24 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.7 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.81 -14.02 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -121.15 4.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.87 30.86 67.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -102.37 147.01 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.25 -34.96 18.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -88.8 162.95 37.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 26' ' ' ILE . 55.8 t -124.01 165.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.3 mtmt -67.28 146.72 53.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.565 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -108.38 116.85 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.537 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.99 66.31 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.0 m-85 -36.32 -58.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 38' ' ' LEU . 2.2 p -41.0 -56.37 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.3 mmtt -47.38 -43.18 23.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.8 m-85 -78.12 -23.16 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' TYR . 69.4 mt -77.44 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.1 mtm -67.91 -23.02 65.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.964 ' CG ' HD13 ' A' ' 85' ' ' LEU . 13.5 m80 -129.98 69.19 81.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.19 18.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -35.94 22.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 11.1 mp0 -84.39 -52.81 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.744 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.9 mt -113.23 118.81 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 34.6 p90 -149.14 -179.59 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.868 HG23 HD22 ' A' ' 55' ' ' LEU . 71.6 t -126.03 139.3 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG22 HG23 ' A' ' 79' ' ' VAL . 4.9 m -119.48 152.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.86 26.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 76' ' ' ILE . 21.1 mt -41.11 155.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.97 -173.88 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.92 140.54 33.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.58 29.68 75.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.5 142.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.84 -153.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.868 HD22 HG23 ' A' ' 46' ' ' VAL . 29.2 tp -101.41 116.56 33.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.0 mtt180 -169.9 163.39 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -41.58 132.55 2.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.527 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.04 57.13 4.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.77 . . . . 0.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -150.11 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.45 -22.46 43.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.644 ' CE2' HG23 ' A' ' 53' ' ' ILE . 92.4 m-85 -80.48 164.52 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -97.82 153.34 20.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.33 -56.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -45.01 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 49.0 mttt -61.77 -62.15 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 8' ' ' LEU . 83.7 mt -39.51 -52.85 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.2 mtt-85 -51.64 -59.97 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.811 HG23 HD11 ' A' ' 76' ' ' ILE . 85.4 mt -44.88 -55.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 11' ' ' GLN . 63.7 mt -55.04 -40.49 70.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.01 -20.88 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.44 28.42 8.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.67 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.2 -63.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.05 -34.51 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.811 HD11 HG23 ' A' ' 69' ' ' ILE . 8.6 mt -44.65 155.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -170.39 126.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.35 99.09 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.516 HG23 HG22 ' A' ' 47' ' ' VAL . 71.6 t -85.67 130.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.7 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.2 mm -109.79 130.95 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.54 -41.85 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.744 ' O ' HD21 ' A' ' 44' ' ' LEU . 28.2 mtt180 -138.27 94.22 11.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.93 19.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.59 -21.77 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.964 HD13 ' CG ' ' A' ' 40' ' ' HIS . 76.1 mt -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.537 HD22 ' CG ' ' A' ' 33' ' ' PRO . 79.9 mt -42.35 -55.79 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.4 p -84.41 -144.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -179.89 -52.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.563 ' O ' HG12 ' A' ' 90' ' ' VAL . . . 148.4 -146.73 16.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 91' ' ' LYS . 2.3 p 45.32 -170.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.744 ' H ' HG22 ' A' ' 90' ' ' VAL . 29.6 tttt -158.65 112.11 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 61.38 103.65 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.42 167.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.77 128.75 8.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.03 6.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.3 t -126.39 -56.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 t 72.77 -61.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -156.2 149.64 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.769 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.88 84.96 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.45 -177.95 54.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' GLY . 41.2 t -57.43 140.03 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 p -65.91 74.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -72.12 -3.52 56.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 66' ' ' LEU . 25.0 mt -60.06 -41.83 93.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -38.24 -60.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -53.18 -51.73 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.7 mt-30 -50.54 -52.4 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.485 HG11 ' HB3' ' A' ' 58' ' ' PRO . 95.2 t -51.11 -52.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -45.32 -54.18 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.0 tp -55.2 -47.0 75.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.668 HD21 HD12 ' A' ' 76' ' ' ILE . 33.6 tp -55.05 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -52.12 -57.26 10.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m120 -53.02 -54.31 37.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 50.3 m -53.09 -46.04 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -58.62 -47.62 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.1 t80 -51.37 -45.2 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.73 -49.37 38.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -57.67 -29.92 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.33 -16.4 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.7 pt -119.8 10.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.07 32.09 82.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -104.72 142.73 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -36.73 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.8 pt-20 -83.77 159.68 60.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' LYS . 54.5 t -121.18 166.11 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 13.4 mtmt -69.65 148.86 48.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.533 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.1 t -109.34 117.26 53.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.04 67.14 6.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.769 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.533 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.8 m-85 -36.51 -57.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.0 -55.82 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.4 mmtm -48.5 -41.74 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -79.21 -22.6 44.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.8 mt -78.13 -57.67 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -68.56 -23.12 64.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.877 ' CG ' HD13 ' A' ' 85' ' ' LEU . 12.9 m80 -130.2 68.84 81.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.91 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -33.33 29.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 5.7 mp0 -86.72 -53.34 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.743 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.4 mt -112.3 118.01 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -148.24 -178.31 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.885 HG23 HD22 ' A' ' 55' ' ' LEU . 90.2 t -127.56 140.74 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.497 HG22 HG23 ' A' ' 79' ' ' VAL . 15.5 m -121.4 151.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -27.73 18.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.644 HD23 HD11 ' A' ' 76' ' ' ILE . 22.7 mt -42.04 153.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.786 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -76.84 145.92 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.58 29.91 76.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.157 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.0 mt -146.06 139.92 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 -153.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.885 HD22 HG23 ' A' ' 46' ' ' VAL . 43.1 tp -105.56 107.94 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 11.3 mtt-85 -157.76 159.14 36.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -45.46 141.02 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 54.56 3.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -141.26 -45.99 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 t -82.43 53.12 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' HE2' HG23 ' A' ' 53' ' ' ILE . 51.6 m-85 -144.36 176.34 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -108.28 148.75 16.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.37 -58.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.09 -46.3 44.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -56.56 -62.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 8' ' ' LEU . 70.8 mt -41.09 -51.01 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 61.0 mtt-85 -58.69 -57.76 11.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -63.96 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.856 HG23 HD11 ' A' ' 76' ' ' ILE . 70.2 mt -45.46 -51.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 11' ' ' GLN . 79.7 mt -58.16 -37.73 75.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 6.2 mt-10 -72.87 -23.05 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.93 24.21 13.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.667 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.89 -67.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -43.77 -36.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 m -72.52 -46.91 52.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.856 HD11 HG23 ' A' ' 69' ' ' ILE . 11.6 mt -48.26 154.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.406 ' HB3' HG23 ' A' ' 47' ' ' VAL . 25.6 tt0 -170.36 129.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -91.22 96.69 10.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.1 t -81.71 130.48 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.629 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.5 mm -108.95 131.05 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.7 -40.1 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.743 ' O ' HD21 ' A' ' 44' ' ' LEU . 86.9 mtt180 -140.12 94.55 8.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.59 20.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.25 -23.58 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.877 HD13 ' CG ' ' A' ' 40' ' ' HIS . 78.5 mt -70.66 -42.54 70.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.621 HD22 ' HG2' ' A' ' 33' ' ' PRO . 61.5 mt -47.26 -50.69 20.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 45.5 p -70.94 87.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 -52.98 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.462 ' C ' HG12 ' A' ' 90' ' ' VAL . . . 152.53 -112.14 0.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.503 ' O ' HG22 ' A' ' 90' ' ' VAL . 7.7 p 43.81 55.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.741 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -141.96 145.75 34.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -87.2 126.51 62.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.2 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.25 112.79 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -142.33 -85.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 101.33 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.9 t -92.44 93.65 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.7 p 43.43 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.01 148.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -111.84 122.97 49.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.28 86.99 1.39 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.98 144.92 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -47.6 -96.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.8 -5.3 53.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.566 ' HB2' HD13 ' A' ' 66' ' ' LEU . 40.7 mt -70.48 -40.97 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 10.6 mtm-85 -37.69 -55.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -57.27 -50.94 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.3 mt-30 -52.87 -52.18 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.585 HG21 HD22 ' A' ' 66' ' ' LEU . 74.0 t -53.26 -53.15 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.35 -51.62 8.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 18' ' ' THR . 32.8 tp -57.86 -45.89 85.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 73' ' ' SER . 30.1 tp -56.67 -63.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -53.15 -54.61 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 2.3 m-80 -55.33 -54.83 38.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 36.1 m -51.37 -52.44 45.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -53.23 -49.16 67.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 20.8 t80 -49.76 -46.08 50.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.17 -50.21 21.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -58.58 -29.66 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.658 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.95 -13.98 60.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 21.5 pt -120.78 1.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 75.08 28.81 61.62 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -102.38 144.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.46 -37.25 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 7.5 pt-20 -84.84 162.31 50.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.01 136.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.029 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.7 t -123.75 165.95 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.7 mtmt -67.29 149.46 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -112.75 116.04 48.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.613 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.93 67.22 5.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.8 m-85 -36.33 -56.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -43.08 -55.53 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.938 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 8.2 mmtt -48.69 -40.04 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.46 ' HB3' HD23 ' A' ' 55' ' ' LEU . 31.1 m-85 -81.13 -21.62 39.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.3 mt -80.38 -58.46 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.48 -23.29 65.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.884 ' CG ' HD13 ' A' ' 85' ' ' LEU . 10.9 m80 -129.64 69.48 81.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.17 14.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.72 -33.31 35.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 3.4 mp0 -86.63 -54.56 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.735 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.6 mt -112.69 122.22 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 28.9 p90 -152.16 178.62 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.783 HG23 HD22 ' A' ' 55' ' ' LEU . 73.1 t -125.09 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.535 HG22 HG23 ' A' ' 79' ' ' VAL . 4.3 m -119.77 149.48 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.32 -19.63 42.25 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD23 HD11 ' A' ' 76' ' ' ILE . 27.4 mt -48.64 153.83 1.32 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.988 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.79 139.64 41.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.17 29.86 72.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.988 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -147.22 141.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 -150.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.783 HD22 HG23 ' A' ' 46' ' ' VAL . 31.6 tp -105.01 115.4 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.2 mtt180 -167.17 163.06 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.39 132.95 2.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.536 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -147.27 -46.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.16 -23.55 48.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' HG23 ' A' ' 53' ' ' ILE . 92.5 m-85 -79.47 172.08 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -109.05 155.43 16.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -39.92 -56.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.62 -52.85 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.87 -58.88 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 12' ' ' VAL . 85.6 mt -40.02 -51.3 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 3.0 mtp180 -55.42 -59.15 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -39.32 -63.03 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.7 HG23 HD11 ' A' ' 76' ' ' ILE . 71.8 mt -45.45 -54.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.477 HD12 HD22 ' A' ' 8' ' ' LEU . 84.0 mt -56.35 -37.52 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -71.62 -20.37 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.03 28.76 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.694 ' HB2' HD13 ' A' ' 15' ' ' LEU . 87.0 p -59.46 -51.71 68.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -60.12 3.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 p -51.17 -46.38 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.7 HD11 HG23 ' A' ' 69' ' ' ILE . 5.6 mt -47.91 149.33 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -170.78 125.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.95 99.02 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.6 t -85.11 130.1 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.658 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.0 mm -109.26 130.81 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -42.6 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.735 ' O ' HD21 ' A' ' 44' ' ' LEU . 61.8 mtt180 -138.55 94.76 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -16.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.15 -22.89 31.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.884 HD13 ' CG ' ' A' ' 40' ' ' HIS . 68.4 mt -72.48 -44.64 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.613 HD22 ' HG2' ' A' ' 33' ' ' PRO . 58.1 mt -46.25 -51.0 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.5 p -71.77 80.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.423 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -175.17 141.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.566 ' O ' HG12 ' A' ' 90' ' ' VAL . . . 142.45 105.09 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.734 HG22 ' H ' ' A' ' 91' ' ' LYS . 2.2 p 45.44 -170.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.734 ' H ' HG22 ' A' ' 90' ' ' VAL . 4.9 tmtm? -174.91 76.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -174.94 148.0 1.09 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 83.92 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.532 1.806 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.9 m -77.18 105.89 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -147.86 81.39 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.91 24.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.45 120.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.046 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.8 p -122.0 128.91 51.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 64.45 136.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.936 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -70.61 155.41 40.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.98 87.23 1.13 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.97 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.963 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 p -153.43 70.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.33 -6.74 49.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 24.8 mt -60.7 -46.08 91.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -38.3 -58.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.41 -47.12 73.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.601 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.4 mt-30 -58.5 -54.63 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.558 HG21 HD22 ' A' ' 66' ' ' LEU . 96.9 t -50.35 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.76 -52.87 4.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.5 tp -56.12 -46.16 79.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.2 tp -57.06 -68.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -45.69 -54.6 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.7 m120 -57.03 -60.65 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 30.3 m -44.24 -49.23 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -56.77 -49.7 74.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -49.58 -46.69 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.84 -50.25 26.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -58.6 -29.47 66.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.746 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.71 -16.26 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.442 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.9 pt -118.35 2.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.14 30.31 61.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.8 mt -103.26 143.17 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -83.58 -36.79 23.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.059 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.6 pt-20 -84.39 159.71 58.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.04 134.99 18.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.2 t -122.16 166.05 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 21.4 mtmt -68.99 153.13 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.0 t -113.69 116.54 45.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.05 71.65 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 32' ' ' VAL . 21.1 m-85 -38.56 -59.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.91 -55.81 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 71.0 mmtt -48.31 -42.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 30.4 m-85 -79.44 -22.28 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.0 mt -79.09 -57.86 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.99 -22.6 64.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.809 ' CG ' HD13 ' A' ' 85' ' ' LEU . 21.7 m-70 -129.89 69.15 81.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.1 18.24 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -34.21 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.1 mp0 -86.67 -54.92 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.6 mt -112.11 118.26 34.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.4 p90 -148.51 -178.82 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.685 HG23 HD22 ' A' ' 55' ' ' LEU . 48.5 t -123.35 148.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.9 m -133.94 143.54 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.02 -13.92 40.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.81 HD23 HD11 ' A' ' 76' ' ' ILE . 28.7 mt -53.37 155.53 4.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -172.38 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.37 143.04 30.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.45 30.46 77.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.35 142.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.29 -155.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.685 HD22 HG23 ' A' ' 46' ' ' VAL . 45.5 tp -100.92 110.45 22.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 mtt85 -159.66 170.23 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -47.97 132.82 11.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.518 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.33 3.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.9 p30 -154.04 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 8.0 t -58.17 -20.79 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 70.2 m-85 -81.35 -179.14 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.14 153.41 17.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -42.22 -58.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.0 -51.15 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' LEU . 52.9 mttt -59.97 -59.75 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.558 HD22 HG21 ' A' ' 12' ' ' VAL . 85.6 mt -39.42 -48.44 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -57.49 -59.04 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -40.85 -63.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.674 HG23 HD11 ' A' ' 76' ' ' ILE . 96.1 mt -42.49 -57.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 11' ' ' GLN . 71.1 mt -52.85 -41.0 63.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.81 -21.62 64.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.77 31.25 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.724 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.63 -66.56 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.2 m-80 -42.1 -44.59 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.8 m -65.43 -45.77 82.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.81 HD11 HD23 ' A' ' 49' ' ' LEU . 4.9 mt -49.45 154.04 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.47 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.8 tt0 -170.62 126.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' A' ' 32' ' ' VAL . 7.0 m-85 -88.26 98.32 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -83.81 130.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.746 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.9 mm -109.65 130.87 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -113.28 -38.72 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.724 ' O ' HD21 ' A' ' 44' ' ' LEU . 25.5 mtp180 -142.09 95.18 6.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.98 20.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.76 -23.38 64.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.809 HD13 ' CG ' ' A' ' 40' ' ' HIS . 71.4 mt -69.68 -44.49 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.628 HD22 ' HG2' ' A' ' 33' ' ' PRO . 65.8 mt -42.77 -53.71 4.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.621 ' O ' HG23 ' A' ' 87' ' ' THR . 10.1 t -100.64 94.7 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -162.32 82.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.52 -162.3 36.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.8 p -166.5 133.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -161.42 137.45 8.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.65 85.09 0.2 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.38 5.16 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.0 t -124.2 166.49 15.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.59 96.51 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 72.66 4.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 m -147.16 116.53 7.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.1 t -124.3 -58.58 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -64.9 125.71 25.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.0 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.41 80.26 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -109.76 -62.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -48.94 -97.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.26 -5.24 55.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 70' ' ' LEU . 36.4 mt -71.44 -41.44 69.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.751 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -38.77 -59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -52.99 -47.11 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.2 mt-30 -58.52 -54.92 41.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 HD22 ' A' ' 66' ' ' LEU . 85.7 t -51.02 -61.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' VAL . 3.1 mt-10 -38.55 -49.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.2 tp -60.75 -47.17 87.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD21 HD12 ' A' ' 76' ' ' ILE . 36.1 tp -54.62 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -58.83 -56.36 23.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.0 m120 -52.51 -44.64 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.2 m -62.88 -59.09 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -47.01 -45.17 20.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 25.0 t80 -52.0 -46.49 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.99 -49.64 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -59.04 -29.98 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.689 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -72.97 -15.84 61.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.4 pt -118.21 -0.26 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 76.6 29.0 58.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 30' ' ' VAL . 1.8 mt -100.89 148.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -39.34 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.3 pt-20 -85.92 164.46 39.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.0 23.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 26' ' ' ILE . 55.3 t -125.17 166.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 25.4 mtmt -67.93 143.87 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -104.26 114.58 64.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.01 66.68 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.62 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.5 m-85 -36.84 -58.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 69.8 mmtt -47.88 -42.59 27.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.3 m-85 -78.5 -22.55 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' TYR . 96.4 mt -78.01 -56.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.7 mtm -69.16 -22.89 63.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.89 ' CG ' HD13 ' A' ' 85' ' ' LEU . 20.0 m-70 -130.17 68.39 81.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.19 15.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -36.93 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 5.6 mp0 -84.04 -52.19 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.4 mt -112.42 121.28 44.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -152.37 -177.68 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.769 HG23 HD22 ' A' ' 55' ' ' LEU . 74.2 t -128.09 143.6 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.503 HG22 HG23 ' A' ' 79' ' ' VAL . 15.3 m -123.52 151.11 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.35 -25.3 27.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.714 HD23 HD11 ' A' ' 76' ' ' ILE . 23.2 mt -42.09 155.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 0.761 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.957 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 -170.26 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 141.42 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.61 29.74 76.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.957 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -144.36 141.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.59 -149.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.769 HD22 HG23 ' A' ' 46' ' ' VAL . 28.3 tp -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.7 mtt180 -158.89 166.09 32.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -45.32 132.83 5.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.0 Cg_endo -75.08 52.96 3.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -151.54 -45.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.67 -19.71 17.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 77.0 m-85 -84.0 179.45 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -114.85 154.76 16.78 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.67 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.44 -52.28 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 2.8 mttp -60.76 -59.56 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 12' ' ' VAL . 86.9 mt -39.76 -50.03 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -55.87 -59.27 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -40.34 -63.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.744 HG23 HD11 ' A' ' 76' ' ' ILE . 87.6 mt -40.96 -60.26 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.551 HD12 HD22 ' A' ' 8' ' ' LEU . 87.7 mt -51.77 -46.12 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.32 -22.42 66.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.68 25.21 12.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.643 ' HB2' HD13 ' A' ' 15' ' ' LEU . 84.8 p -60.14 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -42.11 -41.97 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -68.91 -53.59 20.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.744 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -40.62 152.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 25.5 tt0 -170.25 126.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -86.22 100.4 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -86.93 130.92 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.689 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.8 mm -109.99 130.76 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.14 -41.32 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.721 ' O ' HD21 ' A' ' 44' ' ' LEU . 30.5 mtt85 -139.73 95.0 8.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.97 20.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 87' ' ' THR . 6.8 pt-20 -59.41 -21.32 59.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.233 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.89 HD13 ' CG ' ' A' ' 40' ' ' HIS . 78.6 mt -73.54 -44.63 57.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.566 HD22 ' HG2' ' A' ' 33' ' ' PRO . 71.3 mt -43.82 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 84' ' ' GLU . 34.5 p 40.32 72.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.89 135.83 21.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.98 124.47 0.72 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.7 p -163.68 160.8 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.51 139.08 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.1 111.8 0.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 159.5 41.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.17 146.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 131.5 80.1 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 65.4 6.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.08 126.05 31.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.6 124.69 50.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -61.44 145.31 52.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.58 168.74 10.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.044 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.78 65.82 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.52 164.16 19.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 p -84.98 74.92 10.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.28 -1.52 57.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 21.8 mt -61.8 -47.62 84.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -40.54 -56.33 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -56.17 -45.06 79.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.87 -53.16 60.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 93.0 t -48.93 -56.89 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -43.0 -56.47 3.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 18' ' ' THR . 30.8 tp -54.35 -47.94 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 73' ' ' SER . 38.3 tp -53.17 -63.29 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -54.95 -58.59 7.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.0 m120 -50.15 -48.04 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -60.33 -53.47 57.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 6.7 mmt180 -51.44 -46.48 63.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.59 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -51.55 -47.5 63.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.33 -49.57 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -58.12 -32.3 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.666 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -71.38 -12.49 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.6 pt -122.67 2.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.09 29.69 62.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -103.46 143.57 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 0.78 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.42 -37.94 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.9 pt-20 -83.15 159.64 61.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.5 17.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.5 t -121.24 166.05 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.59 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 15.5 mttt -67.57 147.64 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.589 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -107.71 115.7 58.65 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.0 67.05 5.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.589 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.8 m-85 -37.48 -60.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 75.1 mmtt -46.86 -44.03 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' HB3' HD23 ' A' ' 55' ' ' LEU . 37.1 m-85 -77.24 -23.65 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 93.9 mt -77.77 -56.23 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.52 -23.02 64.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.71 ' CG ' HD13 ' A' ' 85' ' ' LEU . 40.3 m-70 -130.03 68.81 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.52 20.66 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -37.93 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.8 mp0 -84.12 -53.01 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.7 mt -112.31 117.43 32.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.549 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.7 p90 -148.13 179.91 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.707 HG21 HD13 ' A' ' 55' ' ' LEU . 70.2 t -126.31 139.65 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' GLN . 18.3 m -120.46 153.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 101.49 -27.27 21.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD23 HD11 ' A' ' 76' ' ' ILE . 26.3 mt -40.38 155.53 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.955 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.01 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -84.9 138.21 32.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.68 70.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.955 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.4 mt -144.52 139.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.6 -151.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.707 HD13 HG21 ' A' ' 46' ' ' VAL . 37.8 tp -101.97 90.55 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 1.9 mtt180 -135.31 161.47 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.05 145.9 31.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.497 ' O ' ' CD ' ' A' ' 9' ' ' ARG . 18.3 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -150.58 -46.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 52.6 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 108.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 1.1 m-85 -139.06 -86.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.21 151.42 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.32 -63.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -40.29 -60.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 16.8 mttt -55.54 -59.86 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 78.4 mt -39.35 -50.71 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.6 mtt-85 -59.28 -57.36 13.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -39.85 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.618 HG23 ' CD1' ' A' ' 76' ' ' ILE . 18.2 mt -39.15 -56.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.0 mt -53.41 -48.05 69.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.4 -18.84 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.46 20.74 15.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.641 ' HB2' HD13 ' A' ' 15' ' ' LEU . 32.8 p -55.23 -47.06 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -60.5 -50.83 71.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.4 m -60.49 -46.91 88.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.618 ' CD1' HG23 ' A' ' 69' ' ' ILE . 7.5 mt -45.09 150.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.6 tt0 -170.51 125.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.5 m-85 -87.77 100.65 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 70.4 t -87.45 131.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.666 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 6.6 mm -109.42 131.01 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.84 -37.55 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.777 ' O ' HD21 ' A' ' 44' ' ' LEU . 10.4 mtt180 -143.73 95.04 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -15.24 20.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.31 -23.37 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.71 HD13 ' CG ' ' A' ' 40' ' ' HIS . 35.2 mt -69.75 -46.12 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.606 HD21 HD13 ' A' ' 44' ' ' LEU . 46.5 mt -43.6 -34.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.2 p -95.22 -140.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.453 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 51.53 61.21 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.725 ' O ' HG12 ' A' ' 90' ' ' VAL . . . 109.34 -170.7 14.63 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 89' ' ' GLY . 0.3 OUTLIER 86.69 155.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -147.5 152.29 37.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 12.1 pt-20 -81.74 114.29 49.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.37 35.36 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.56 1.821 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.96 129.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 144.11 -179.92 21.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 157.21 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.12 111.25 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.8 m 55.71 169.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -75.4 118.49 18.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.038 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.8 p -68.33 -60.52 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.67 170.18 45.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -72.06 139.8 48.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.791 . . . . 0.0 110.036 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t 52.4 74.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.32 -4.94 52.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.518 ' HB2' HD13 ' A' ' 66' ' ' LEU . 34.4 mt -57.02 -46.37 82.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 50.8 mtm-85 -38.76 -57.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -54.64 -42.27 71.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.374 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.4 mt-30 -64.18 -59.58 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 66' ' ' LEU . 85.0 t -44.3 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.533 ' O ' ' ND2' ' A' ' 17' ' ' ASN . 1.9 mt-10 -41.19 -54.2 2.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -56.03 -45.87 79.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -56.79 -69.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -44.43 -47.79 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 13' ' ' GLU . 1.9 m-80 -62.69 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -39.5 -40.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -65.99 -49.95 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 29.7 t80 -49.72 -47.19 50.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.54 -49.82 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -58.92 -28.5 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.764 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.0 -19.54 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.6 pt -114.69 8.82 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.56 32.86 82.83 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -102.77 145.71 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.51 -37.78 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -85.73 161.41 50.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.02 137.94 22.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.434 1.755 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 70.9 t -127.69 164.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 3.2 mmmt -61.23 -175.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 34' ' ' TYR . 20.0 t -142.9 117.08 6.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.637 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 67.06 6.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.0 m-85 -36.89 -58.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.07 -55.55 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.3 mmtt -48.65 -42.05 33.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' TYR . 34.3 m-85 -79.1 -22.21 45.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -79.37 -56.69 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -69.08 -22.37 64.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.808 ' CG ' HD13 ' A' ' 85' ' ' LEU . 33.9 m-70 -130.6 68.73 81.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.76 21.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -46.66 9.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' CD ' HD11 ' A' ' 85' ' ' LEU . 1.5 mt-10 -78.05 -51.62 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.824 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.0 mt -111.41 116.15 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.536 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.7 p90 -147.66 179.41 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.726 HG23 HD22 ' A' ' 55' ' ' LEU . 24.3 t -123.33 146.2 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.9 m -129.47 151.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -26.3 25.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.681 HD23 HD11 ' A' ' 76' ' ' ILE . 33.2 mt -41.08 153.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.78 139.0 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.19 29.79 71.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.9 mt -146.77 142.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.59 -151.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.953 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 46' ' ' VAL . 32.8 tp -102.36 111.23 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.5 mtt180 -159.72 168.49 25.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -52.95 135.37 47.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.511 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 55.55 3.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -144.69 -47.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.68 -32.83 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.624 ' CE1' HG23 ' A' ' 53' ' ' ILE . 86.7 m-85 -68.45 160.66 29.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -100.43 156.26 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.76 -57.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.36 -49.85 32.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.0 mttt -61.21 -58.37 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 12' ' ' VAL . 88.4 mt -40.03 -52.71 2.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -53.81 -56.17 19.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -62.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.546 HG22 HD23 ' A' ' 15' ' ' LEU . 47.7 mt -42.92 -58.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.75 -46.44 64.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.63 -22.05 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.28 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.643 ' HB2' HD13 ' A' ' 15' ' ' LEU . 88.5 p -66.91 -67.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -45.02 -34.15 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -78.31 -43.93 26.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.681 HD11 HD23 ' A' ' 49' ' ' LEU . 2.9 mt -49.49 153.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' HB3' HG23 ' A' ' 47' ' ' VAL . 16.8 tt0 -170.44 125.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -87.28 98.06 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.536 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -83.1 131.72 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.764 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.5 mm -111.92 130.69 65.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -112.98 -43.48 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.824 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.9 mtp85 -137.24 94.75 12.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.64 20.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.16 -26.62 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.808 HD13 ' CG ' ' A' ' 40' ' ' HIS . 45.2 mt -66.81 -43.32 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.637 HD22 ' CG ' ' A' ' 33' ' ' PRO . 69.6 mt -43.93 -54.9 4.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.6 p -68.13 86.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.09 68.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.62 138.61 10.23 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.1 t -91.91 136.76 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.766 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 49.72 -171.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.37 76.8 1.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 167.74 26.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.05 145.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.67 151.39 19.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.01 43.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.8 t -146.14 111.16 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.5 t 52.81 87.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.21 135.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t 69.28 152.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.71 -112.02 2.48 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 m 63.24 -176.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 p -52.62 -98.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.29 -7.85 50.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HB2' HD13 ' A' ' 66' ' ' LEU . 37.5 mt -67.42 -41.42 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.9 mtm-85 -38.03 -62.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -49.8 -44.32 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HB2' HD11 ' A' ' 70' ' ' LEU . 8.3 mt-30 -62.13 -54.2 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.564 HG21 HD22 ' A' ' 66' ' ' LEU . 95.4 t -52.45 -49.23 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -48.46 -53.67 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -55.38 -46.48 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.8 tp -54.79 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -56.06 -55.62 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m120 -52.13 -46.95 65.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.8 m -61.67 -60.3 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.4 mmt180 -42.33 -48.95 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.9 t80 -50.12 -46.69 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.03 -50.77 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.49 -28.99 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.672 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.3 -17.14 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -117.4 3.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.43 30.59 62.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.557 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -102.99 147.5 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -38.96 16.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.9 pt-20 -85.99 164.07 40.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 139.82 24.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.557 HG21 HD12 ' A' ' 26' ' ' ILE . 56.0 t -126.61 165.85 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 27.4 mtmt -69.41 144.8 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 34' ' ' TYR . 4.1 t -105.68 117.72 57.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.617 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.03 65.19 6.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CD1' HG12 ' A' ' 32' ' ' VAL . 17.2 m-85 -35.28 -56.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -55.12 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 11.9 mmtt -49.36 -41.11 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.1 m-85 -79.36 -21.97 45.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.4 mt -79.48 -57.06 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.3 mtm -69.2 -23.03 63.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 85' ' ' LEU . 7.7 m80 -130.86 68.59 81.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.62 14.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -32.22 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.0 mp0 -87.96 -51.88 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.713 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.0 mt -113.24 120.81 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 41.4 p90 -150.92 -177.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.934 HG23 HD22 ' A' ' 55' ' ' LEU . 89.1 t -130.08 140.51 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.529 HG22 HG23 ' A' ' 79' ' ' VAL . 15.8 m -120.19 152.67 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.11 -24.18 32.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD23 HD11 ' A' ' 76' ' ' ILE . 25.8 mt -42.41 155.47 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.965 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -176.08 2.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.9 137.29 36.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.69 32.23 74.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.965 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.0 mt -147.96 139.51 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.73 -151.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.934 HD22 HG23 ' A' ' 46' ' ' VAL . 22.4 tp -99.61 112.87 25.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 15.8 mtt85 -163.11 170.53 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 142.33 84.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.511 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.95 1.61 7.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -100.53 10.25 41.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.55 13.31 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 44.4 m-85 -121.78 136.35 54.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.24 50.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.64 -56.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.68 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -61.84 -59.66 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 12' ' ' VAL . 81.9 mt -41.31 -51.97 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 71' ' ' GLU . 11.6 mtp180 -55.47 -59.46 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.52 -64.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.842 HG23 HD11 ' A' ' 76' ' ' ILE . 35.2 mt -44.88 -51.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 11' ' ' GLN . 65.0 mt -58.56 -35.62 72.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' LYS . 5.0 mt-10 -73.7 -22.45 59.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.32 26.74 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.713 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.61 -61.17 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -49.43 -42.13 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -66.94 -47.89 70.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 69' ' ' ILE . 8.4 mt -46.75 153.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' VAL . 24.9 tt0 -170.46 126.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -87.15 97.88 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.7 t -83.19 131.51 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.672 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.2 mm -111.38 130.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.59 -42.6 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.713 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.9 mtp85 -136.57 94.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.96 21.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.64 -21.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 40' ' ' HIS . 95.7 mt -70.62 -44.01 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.617 HD22 ' HG2' ' A' ' 33' ' ' PRO . 64.5 mt -43.83 -63.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 87' ' ' THR . 4.8 t -81.33 88.87 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -149.99 70.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.43 138.09 2.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.9 t -110.44 109.55 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -110.46 94.16 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.167 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -119.09 88.79 37.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 72.38 4.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.458 1.768 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.3 t -169.27 109.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 59.93 -167.25 9.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 153.34 41.93 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.5 m -55.16 134.1 49.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.8 p -178.17 161.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.958 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -169.65 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.051 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.64 118.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.99 179.6 21.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 m 58.74 161.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.436 ' OG ' ' NH1' ' A' ' 9' ' ' ARG . 53.6 p -74.4 74.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.1 -0.99 62.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 25.0 mt -60.04 -43.78 95.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 66.5 mtm-85 -38.06 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -52.99 -48.82 67.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -54.94 -54.35 43.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG11 ' HB3' ' A' ' 58' ' ' PRO . 86.4 t -48.99 -53.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -45.29 -54.97 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.0 tp -54.87 -45.97 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 73' ' ' SER . 38.4 tp -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -53.79 -55.21 28.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.7 m120 -53.56 -50.59 65.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 27.9 m -57.25 -52.24 66.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -51.37 -48.4 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -50.48 -44.51 55.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -50.08 -49.86 49.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -57.77 -29.29 64.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.688 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.23 -19.88 60.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.467 HD11 HG21 ' A' ' 30' ' ' VAL . 22.1 pt -115.31 8.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.29 31.75 78.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -103.48 145.25 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -38.41 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -84.58 161.9 52.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 136.72 20.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG21 HD12 ' A' ' 26' ' ' ILE . 55.5 t -123.56 165.89 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 10.2 mtmm -68.29 147.67 51.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.511 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -107.77 117.47 55.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 69.11 5.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.511 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.3 m-85 -39.07 -60.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.4 m -39.98 -56.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.948 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' CD ' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -46.09 -45.29 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' TYR . 36.2 m-85 -76.17 -24.25 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.8 mt -76.35 -55.46 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.03 -22.96 63.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.625 ' CG ' HD13 ' A' ' 85' ' ' LEU . 65.5 m-70 -131.1 68.02 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.599 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.34 14.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' CB ' ' OE2' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -81.94 -34.38 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HG2' HD11 ' A' ' 85' ' ' LEU . 2.5 mp0 -86.81 -49.28 7.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.626 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.2 mt -115.19 118.06 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -147.59 -177.86 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.592 HG23 HD22 ' A' ' 55' ' ' LEU . 42.8 t -125.15 141.71 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.594 HG22 HG23 ' A' ' 79' ' ' VAL . 3.8 m -121.78 146.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -28.71 13.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.694 HD23 HD11 ' A' ' 76' ' ' ILE . 20.3 mt -41.9 153.83 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.993 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.03 -177.93 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.48 145.03 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.86 29.89 76.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.993 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -145.6 138.54 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.592 HD22 HG23 ' A' ' 46' ' ' VAL . 61.2 tp -107.6 110.83 22.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 26.5 mtt180 -162.62 158.54 23.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 5.3 mtt180 -43.03 139.55 2.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.99 52.52 3.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -139.26 -45.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.39 53.38 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 58.4 m-85 -147.05 178.82 8.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -110.52 148.9 17.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.04 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.46 29.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 32.2 mttt -55.97 -62.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 12' ' ' VAL . 76.2 mt -40.13 -49.21 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -60.55 -57.48 12.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -64.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.795 HG23 HD11 ' A' ' 76' ' ' ILE . 60.1 mt -44.22 -53.72 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.6 mt -56.59 -41.55 77.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.69 -23.65 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.66 23.08 14.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.673 ' HB2' HD13 ' A' ' 15' ' ' LEU . 89.8 p -57.19 -67.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.33 -44.84 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -66.69 -49.32 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.795 HD11 HG23 ' A' ' 69' ' ' ILE . 6.6 mt -45.48 150.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -170.5 126.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -84.85 98.88 10.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.594 HG23 HG22 ' A' ' 47' ' ' VAL . 69.6 t -84.14 130.89 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.688 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.8 mm -110.45 130.29 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.95 -49.91 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.626 ' O ' HD21 ' A' ' 44' ' ' LEU . 5.6 mpt_? -131.61 95.58 23.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.92 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -19.25 65.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.625 HD13 ' CG ' ' A' ' 40' ' ' HIS . 23.5 mt -71.12 -45.24 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.507 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 31.0 mt -40.19 -50.74 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.7 p -83.0 -142.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.43 67.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.43 60.17 7.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.2 t 63.09 130.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.756 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.39 126.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -97.01 153.87 38.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 80.54 2.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.4 p -157.49 103.66 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.29 108.1 0.81 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 158.79 41.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.11 137.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 t -120.13 169.55 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.26 -57.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 p -142.1 148.01 37.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.1 -92.68 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.6 133.6 42.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.739 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -75.39 74.96 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.38 -5.56 49.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.582 1.176 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 29.7 mt -58.02 -47.53 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mtm105 -36.96 -58.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -54.78 -47.01 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.9 mt-30 -59.36 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.585 HG21 HD22 ' A' ' 66' ' ' LEU . 93.9 t -51.76 -56.17 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -42.44 -51.5 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 18' ' ' THR . 42.9 tp -57.53 -44.62 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.685 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.9 tp -57.9 -64.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -53.78 -50.87 65.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m120 -57.57 -49.72 75.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 23.0 m -58.02 -49.99 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 -55.12 -45.75 75.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 26.2 t80 -52.53 -45.14 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -49.08 -49.52 41.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -57.88 -30.27 65.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.681 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.68 -16.14 61.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.458 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 24.1 pt -119.59 8.4 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.18 32.81 81.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -105.94 143.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -38.2 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.8 pt-20 -83.24 159.95 60.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.45 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.7 t -121.65 165.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.3 mtmt -68.29 150.79 47.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.1 t -112.04 117.9 47.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.636 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.97 68.15 5.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.9 m-85 -36.6 -58.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -41.4 -56.48 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 5.4 mmtp -47.36 -43.56 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.524 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.2 m-85 -77.62 -23.07 49.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -78.73 -57.77 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.4 mtm -68.23 -23.25 64.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.902 ' CG ' HD13 ' A' ' 85' ' ' LEU . 14.8 m80 -130.32 69.04 81.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -38.38 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.2 mp0 -83.1 -52.8 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.765 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.0 mt -112.0 119.29 37.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.585 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 39.0 p90 -150.03 -178.43 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 55' ' ' LEU . 73.4 t -128.64 138.58 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.507 HG22 HG23 ' A' ' 79' ' ' VAL . 17.7 m -118.65 155.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.65 -23.19 37.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD23 HD11 ' A' ' 76' ' ' ILE . 24.9 mt -44.71 153.74 0.46 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.971 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 141.57 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 29.92 75.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.971 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.75 141.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.9 -150.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.706 HD13 HG21 ' A' ' 46' ' ' VAL . 23.1 tp -103.81 112.87 26.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.531 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 12.3 mtt85 -160.97 167.22 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.15 132.9 9.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.498 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.96 63.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.86 -43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.4 m -59.04 -22.37 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.314 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 56' ' ' ARG . 88.3 m-85 -78.8 178.03 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.74 154.2 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -41.79 -57.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 -50.24 22.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -60.52 -60.16 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 12' ' ' VAL . 84.3 mt -39.55 -48.03 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -59.41 -57.87 11.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -62.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.827 HG23 HD11 ' A' ' 76' ' ' ILE . 83.6 mt -45.77 -52.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.5 mt -56.66 -39.42 73.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.44 -24.72 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.31 30.54 6.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.685 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.16 -63.55 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -45.57 -43.94 12.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.827 HD11 HG23 ' A' ' 69' ' ' ILE . 9.2 mt -46.1 155.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' VAL . 22.1 tt0 -170.36 129.14 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -90.33 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.585 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.3 t -84.36 132.18 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.681 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.1 mm -112.82 130.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -112.95 -44.75 3.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.765 ' O ' HD21 ' A' ' 44' ' ' LEU . 17.1 mtp180 -133.75 93.08 21.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.63 21.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 87' ' ' THR . 11.0 pt-20 -60.12 -22.39 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.902 HD13 ' CG ' ' A' ' 40' ' ' HIS . 73.2 mt -70.13 -45.36 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.636 HD22 ' HG2' ' A' ' 33' ' ' PRO . 60.0 mt -46.03 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 84' ' ' GLU . 37.2 p 36.5 61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.62 166.77 22.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.94 134.91 4.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p -66.21 134.06 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 0.79 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.16 157.34 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.371 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -169.28 92.23 0.56 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.1 22.67 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.71 147.74 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -131.36 -166.69 11.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.94 2.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 m 62.78 142.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.01 103.65 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.508 ' HB2' HD13 ' A' ' 66' ' ' LEU . 27.0 mt -61.4 -45.3 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 22.6 mtm180 -38.1 -58.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -55.35 -48.5 74.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.486 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -57.09 -54.11 50.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.62 HG21 HD22 ' A' ' 66' ' ' LEU . 84.6 t -49.72 -57.15 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 34.9 tp -57.09 -46.34 82.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -55.62 -64.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -51.92 -56.81 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m120 -53.43 -55.71 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -50.71 -50.3 55.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -55.63 -47.88 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 86' ' ' LEU . 26.5 t80 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.6 -50.27 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.98 -28.24 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.688 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.47 -16.45 60.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.54 HD11 HG21 ' A' ' 30' ' ' VAL . 22.8 pt -118.2 3.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.34 29.79 65.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -100.86 149.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -39.06 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.9 pt-20 -86.68 165.68 31.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.0 Cg_endo -75.0 138.93 23.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 26' ' ' ILE . 55.1 t -124.87 165.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' N ' HG12 ' A' ' 30' ' ' VAL . 4.3 mtmp? -68.99 149.83 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.4 t -114.52 116.01 44.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.629 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 70.98 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.5 m-85 -37.32 -59.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 p -40.73 -56.28 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 10.0 mmtt -47.51 -42.8 23.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.5 m-85 -78.64 -22.88 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.4 mt -79.07 -57.53 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.4 mtm -68.41 -22.84 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.981 ' CG ' HD13 ' A' ' 85' ' ' LEU . 20.0 m-70 -130.36 68.9 81.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.7 14.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -27.98 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -92.15 -54.51 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.1 mt -113.28 118.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.9 p90 -149.76 -179.87 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 55' ' ' LEU . 83.1 t -125.79 139.58 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.461 HG22 HG23 ' A' ' 79' ' ' VAL . 17.2 m -119.69 153.75 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.8 -26.26 25.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 76' ' ' ILE . 37.8 mt -41.23 154.92 0.22 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.973 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -173.07 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -81.94 141.6 33.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.5 29.72 75.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.973 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.87 142.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.94 -151.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 46' ' ' VAL . 27.7 tp -100.76 118.61 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt180 -168.3 168.29 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 1.3 mtt180 -51.63 135.29 34.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.521 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.79 3.46 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.432 1.753 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -146.04 -46.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.31 -29.4 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 85.4 m-85 -73.37 169.11 17.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -105.38 153.97 17.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.05 -57.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.12 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -60.8 -58.56 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.62 HD22 HG21 ' A' ' 12' ' ' VAL . 85.9 mt -40.09 -51.94 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' GLU . 95.2 mtt-85 -55.76 -57.55 11.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -40.33 -59.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.878 HG23 HD11 ' A' ' 76' ' ' ILE . 22.7 mt -50.48 -51.67 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 11' ' ' GLN . 64.7 mt -57.41 -33.04 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.6 mt-10 -76.19 -25.64 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.59 27.77 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.682 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.91 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.004 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -47.63 -39.73 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.7 m -71.27 -47.39 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.878 HD11 HG23 ' A' ' 69' ' ' ILE . 7.8 mt -47.04 153.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.2 tt0 -170.41 130.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 32' ' ' VAL . 5.5 m-85 -91.7 99.07 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.3 t -85.66 130.74 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.688 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.3 mm -108.89 131.03 60.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 -42.5 3.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 44' ' ' LEU . 8.8 mtp85 -136.92 93.82 13.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.85 20.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.73 -23.76 60.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.981 HD13 ' CG ' ' A' ' 40' ' ' HIS . 82.3 mt -68.53 -45.38 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.648 HD21 HD13 ' A' ' 44' ' ' LEU . 27.9 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 70' ' ' LEU . 33.1 mt -58.04 -45.89 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -39.01 -58.72 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.3 -44.66 72.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.475 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.1 mt-30 -61.97 -60.0 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.554 HG21 HD22 ' A' ' 66' ' ' LEU . 97.1 t -44.15 -56.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -41.31 -52.1 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.6 tp -58.02 -45.3 87.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.692 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.6 tp -56.22 -60.32 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.17 -52.8 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.0 m120 -55.54 -44.73 77.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 19.4 m -61.9 -61.98 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -44.48 -45.17 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.4 t80 -52.0 -44.76 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.31 -49.92 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -58.33 -29.54 66.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.655 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.57 -13.17 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.1 pt -122.13 3.95 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.46 28.63 67.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 30' ' ' VAL . 2.1 mt -101.5 146.75 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 -38.84 16.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.4 pt-20 -85.94 166.01 31.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -75.03 139.61 24.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.676 HG21 HD12 ' A' ' 26' ' ' ILE . 55.1 t -126.49 165.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.9 mtmp? -66.22 145.33 55.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.641 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -109.55 115.83 55.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.96 63.99 5.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.641 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.9 m-85 -36.49 -62.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.7 m -39.0 -54.51 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.3 mmmt -48.63 -46.18 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' HB3' HD23 ' A' ' 55' ' ' LEU . 36.2 m-85 -73.52 -21.06 60.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.75 -56.04 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 74.7 mtm -70.24 -22.24 62.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.818 ' CG ' HD13 ' A' ' 85' ' ' LEU . 24.3 m-70 -131.11 67.89 81.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -19.6 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 85' ' ' LEU . 6.1 mp0 -100.94 -51.65 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.762 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.0 mt -116.52 114.97 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 29.4 p90 -145.24 -178.92 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.723 HG23 HD22 ' A' ' 55' ' ' LEU . 92.8 t -126.42 140.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 79' ' ' VAL . 16.1 m -119.77 152.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.6 -25.85 26.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 76' ' ' ILE . 34.2 mt -40.85 155.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.968 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -87.05 139.15 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.07 29.73 74.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.968 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.6 mt -144.68 142.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.443 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -136.71 -151.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.723 HD22 HG23 ' A' ' 46' ' ' VAL . 33.8 tp -100.46 115.29 29.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 11.0 mtt85 -167.76 164.36 14.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.46 134.19 5.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.517 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 51.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -143.73 -46.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -56.55 -26.51 55.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CE1' HG23 ' A' ' 53' ' ' ILE . 97.3 m-85 -79.33 159.67 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -96.74 156.62 21.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.83 -60.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.52 -45.91 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.81 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 12' ' ' VAL . 79.3 mt -40.09 -50.87 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -56.4 -56.17 24.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.18 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.53 -59.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.811 HG23 ' CD1' ' A' ' 76' ' ' ILE . 37.4 mt -50.36 -55.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.5 HD12 HD22 ' A' ' 8' ' ' LEU . 59.2 mt -52.87 -35.13 57.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -26.06 60.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.21 27.76 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.692 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.74 -67.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.425 ' N ' ' OG ' ' A' ' 73' ' ' SER . 65.1 m-80 -45.36 -35.86 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -72.9 -47.27 47.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.811 ' CD1' HG23 ' A' ' 69' ' ' ILE . 11.2 mt -48.85 155.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -170.51 131.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -91.7 99.31 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.8 t -86.74 131.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.655 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.9 mm -109.05 130.87 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 -35.55 5.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.762 ' O ' HD21 ' A' ' 44' ' ' LEU . 7.4 mtt180 -144.9 94.69 5.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -15.86 20.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.21 -25.88 64.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.818 HD13 ' CG ' ' A' ' 40' ' ' HIS . 76.2 mt -67.05 -51.18 57.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.688 HD21 HD13 ' A' ' 44' ' ' LEU . 53.1 mt . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.7 mt -56.59 -49.14 75.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 15.1 mtm180 -38.35 -54.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 mt-30 -62.4 -53.86 48.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 58' ' ' PRO . 88.5 t -48.05 -53.0 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -46.8 -54.45 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' THR . 43.0 tp -55.48 -46.11 76.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.665 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.8 tp -54.71 -56.94 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -61.53 -56.71 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.8 m120 -51.81 -43.52 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 31.2 m -64.59 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -43.28 -44.32 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 22.9 t80 -52.94 -45.71 67.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.7 -49.04 20.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -58.25 -32.04 67.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.694 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -71.52 -14.96 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 19.8 pt -120.37 4.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.06 31.47 69.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.615 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -101.83 150.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.25 -35.26 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -90.14 164.08 29.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 136.38 20.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.615 HG21 HD12 ' A' ' 26' ' ' ILE . 55.2 t -122.59 165.35 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.597 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.8 mtmt -65.9 147.11 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -111.0 115.91 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.617 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.02 66.1 6.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.569 ' CD1' HG12 ' A' ' 32' ' ' VAL . 21.1 m-85 -36.29 -57.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -42.48 -56.43 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 15.7 mmtt -46.87 -43.81 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.489 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.2 m-85 -76.75 -23.54 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.7 mt -78.84 -56.97 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.8 mtm -68.96 -22.8 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.906 ' CG ' HD13 ' A' ' 85' ' ' LEU . 22.8 m-70 -130.61 68.67 81.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -35.12 27.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.41 -53.43 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.2 mt -111.7 118.53 35.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 33.7 p90 -148.89 -178.67 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.829 HG23 HD22 ' A' ' 55' ' ' LEU . 77.9 t -128.88 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 79' ' ' VAL . 17.3 m -119.0 155.7 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.08 -22.13 42.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 76' ' ' ILE . 26.1 mt -47.83 154.79 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.979 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -176.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.99 142.59 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.17 29.8 76.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.979 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.02 142.42 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.31 -153.01 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.829 HD22 HG23 ' A' ' 46' ' ' VAL . 32.3 tp -101.14 116.92 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 19.0 mtt85 -167.72 165.68 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.44 138.13 50.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 56.8 4.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.462 ' CG ' ' N ' ' A' ' 60' ' ' CYS . 15.8 p-10 -138.87 -46.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.462 ' N ' ' CG ' ' A' ' 59' ' ' ASN . 37.6 t -64.28 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.332 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.655 ' CE1' HG23 ' A' ' 53' ' ' ILE . 96.5 m-85 -69.84 160.95 30.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.54 157.13 17.65 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.22 -56.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.39 16.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -59.63 -56.98 15.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.483 HD22 HG21 ' A' ' 12' ' ' VAL . 86.8 mt -40.18 -50.02 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -59.43 -56.96 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.01 -65.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.693 HG23 ' CD1' ' A' ' 76' ' ' ILE . 43.1 mt -43.54 -53.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.432 HD12 HD22 ' A' ' 8' ' ' LEU . 80.8 mt -55.69 -39.14 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -70.68 -20.76 62.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.48 25.68 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.665 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.01 -67.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -43.82 -43.16 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -64.62 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.7 HD11 HD23 ' A' ' 49' ' ' LEU . 11.6 mt -46.76 155.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.7 tt0 -170.31 127.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -89.26 99.46 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -85.86 130.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.694 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.5 mm -109.89 131.02 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.6 -44.95 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.778 ' O ' HD21 ' A' ' 44' ' ' LEU . 23.0 mtt180 -135.92 94.63 14.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.91 20.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.15 -25.63 59.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.906 HD13 ' CG ' ' A' ' 40' ' ' HIS . 53.4 mt -67.6 -45.05 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.617 HD22 ' CG ' ' A' ' 33' ' ' PRO . 75.8 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' A' ' 66' ' ' LEU . 33.7 mt -52.41 -48.05 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -38.26 -59.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -52.54 -42.14 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.3 mt-30 -65.22 -51.18 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.57 HG21 HD22 ' A' ' 66' ' ' LEU . 94.5 t -52.24 -51.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.57 -51.01 12.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.6 tp -58.65 -46.38 87.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.6 tp -55.22 -60.02 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -57.04 -56.96 14.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.3 m120 -52.54 -48.43 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 35.9 m -59.25 -54.54 45.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 49.0 mmt-85 -50.09 -46.09 53.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -52.06 -45.05 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.16 -48.74 34.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -59.67 -28.4 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.665 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.93 -17.76 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.48 HD11 HG21 ' A' ' 30' ' ' VAL . 21.4 pt -116.48 3.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 71.7 30.04 66.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 30' ' ' VAL . 1.8 mt -98.74 154.51 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.429 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 1.3 p -92.65 -35.87 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.563 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.6 mm-40 -91.06 165.65 21.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.5 21.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 26' ' ' ILE . 55.9 t -124.05 165.85 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 11.7 mtmt -67.41 148.19 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.537 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -111.45 117.05 49.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.01 66.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.537 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.0 m-85 -35.95 -56.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 3.1 m -43.28 -56.47 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.6 mmtt -46.76 -43.02 17.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.526 ' HB3' HD23 ' A' ' 55' ' ' LEU . 33.7 m-85 -77.51 -24.3 50.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.4 mt -76.38 -54.02 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.2 mtm -72.02 -22.41 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.949 ' CG ' HD13 ' A' ' 85' ' ' LEU . 63.7 m-70 -132.16 66.38 77.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.635 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.9 20.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.27 -48.36 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.7 mm-40 -79.87 -51.04 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' O ' ' A' ' 82' ' ' ARG . 5.6 mt -105.69 107.06 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.0 p90 -143.86 -178.4 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.63 HG23 HD22 ' A' ' 55' ' ' LEU . 96.1 t -127.83 144.97 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 79' ' ' VAL . 14.4 m -123.7 153.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.33 -26.86 23.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.75 HD23 HD11 ' A' ' 76' ' ' ILE . 27.9 mt -43.58 153.78 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.944 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 172.72 15.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.5 140.32 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.55 29.8 71.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.944 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -148.34 142.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.08 -151.14 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.63 HD22 HG23 ' A' ' 46' ' ' VAL . 41.0 tp -101.12 118.24 36.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 18.4 mtt180 -167.24 166.98 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.69 134.85 26.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.07 56.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -145.69 -47.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.1 t -58.39 -35.67 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CE1' HG23 ' A' ' 53' ' ' ILE . 94.4 m-85 -65.58 164.73 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.68 155.27 17.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.62 -56.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.78 -50.99 31.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.6 mttt -59.39 -59.13 5.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 12' ' ' VAL . 86.3 mt -39.9 -52.56 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' GLU . 6.3 mtt180 -54.36 -59.15 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -61.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.894 HG23 HD11 ' A' ' 76' ' ' ILE . 65.0 mt -48.6 -54.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.5 mt -55.76 -33.79 64.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.9 mt-10 -75.69 -26.8 57.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.55 24.34 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.27 -63.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -46.19 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -65.8 -45.65 81.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.894 HD11 HG23 ' A' ' 69' ' ' ILE . 8.5 mt -48.1 153.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.9 tt0 -170.46 131.65 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -92.51 98.2 11.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.5 t -84.37 130.72 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.665 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.3 mm -109.1 130.92 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -115.09 -41.89 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.775 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -134.93 92.51 18.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.06 20.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.71 -25.57 64.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.949 HD13 ' CG ' ' A' ' 40' ' ' HIS . 77.0 mt -68.16 -47.07 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' A' ' 33' ' ' PRO . 74.5 mt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.951 -0.859 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 23.4 mt -62.15 -46.16 90.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.32 -52.56 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -60.29 -43.18 96.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.7 mt-30 -64.23 -60.07 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.593 HG21 HD22 ' A' ' 66' ' ' LEU . 97.3 t -42.81 -59.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -43.59 -54.45 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.525 HD11 ' HG3' ' A' ' 29' ' ' PRO . 23.2 tp -55.11 -46.15 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.576 HD21 HD12 ' A' ' 76' ' ' ILE . 37.6 tp -55.65 -68.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -46.43 -53.79 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.3 m120 -57.6 -42.31 82.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 15.9 m -62.77 -55.02 30.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 20.7 mmm180 -51.22 -44.28 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.3 t80 -53.01 -44.51 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.44 24.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -59.66 -28.57 67.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.72 -18.45 60.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.477 HD11 HG21 ' A' ' 30' ' ' VAL . 21.9 pt -115.16 1.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.46 29.31 64.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.78 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -97.44 156.65 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.1 p -93.09 -38.79 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -91.12 169.7 11.11 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.525 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 142.97 28.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.78 HG21 HD12 ' A' ' 26' ' ' ILE . 55.0 t -130.19 165.99 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.599 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 12.6 mtmt -69.84 144.33 52.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -104.83 116.98 59.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.0 65.28 6.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.561 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.4 m-85 -36.32 -59.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.1 m -40.93 -56.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 51.3 mmtt -46.48 -44.68 17.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -76.28 -23.95 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.9 mt -75.67 -59.24 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -67.62 -23.25 65.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.891 ' CG ' HD13 ' A' ' 85' ' ' LEU . 14.5 m-70 -129.57 69.35 81.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -26.95 10.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -31.27 56.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.64 -54.07 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.5 mt -113.7 120.76 41.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 31.5 p90 -148.61 178.77 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.903 HG23 HD22 ' A' ' 55' ' ' LEU . 67.5 t -122.63 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.55 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.5 m -129.39 146.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.85 -24.0 29.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.7 mt -43.99 153.35 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.983 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 166.68 28.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.86 142.12 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.06 29.99 70.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.983 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.7 mt -148.14 142.16 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.93 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.903 HD22 HG23 ' A' ' 46' ' ' VAL . 24.3 tp -105.04 103.45 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 16.8 mtt180 -151.38 174.38 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.39 146.69 97.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 1.51 7.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.48 23.86 13.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 23.05 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 108.329 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 33.6 m-85 -128.09 179.93 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.68 162.53 13.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -51.47 -68.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.501 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -40.96 -40.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 22.4 mttt -66.71 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.593 HD22 HG21 ' A' ' 12' ' ' VAL . 88.6 mt -39.97 -51.49 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LYS . 6.7 mtt-85 -55.82 -57.67 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.73 -63.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.556 HG23 HD11 ' A' ' 76' ' ' ILE . 57.7 mt -43.01 -54.81 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.7 mt -55.69 -47.52 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.71 -16.77 58.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.98 19.83 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.571 ' HB2' HD13 ' A' ' 15' ' ' LEU . 28.5 p -55.2 -56.55 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -55.08 -49.19 72.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 m -59.0 -47.27 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.576 HD12 HD21 ' A' ' 15' ' ' LEU . 13.7 mt -45.72 155.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.55 ' HB3' HG23 ' A' ' 47' ' ' VAL . 30.9 tt0 -170.79 125.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 6.2 m-85 -89.53 97.25 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -83.24 130.17 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.609 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.2 mm -110.35 130.6 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 -38.19 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.721 ' O ' HD21 ' A' ' 44' ' ' LEU . 26.9 mtp180 -141.64 94.59 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.35 20.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -60.86 -21.13 62.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.891 HD13 ' CG ' ' A' ' 40' ' ' HIS . 91.7 mt -72.1 -43.14 65.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.697 HD21 HD13 ' A' ' 44' ' ' LEU . 25.5 mt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.616 ' HB2' HD13 ' A' ' 66' ' ' LEU . 35.9 mt -56.34 -44.53 80.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mtm105 -40.31 -56.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -55.37 -40.44 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HB2' HD11 ' A' ' 70' ' ' LEU . 20.9 mt-30 -65.47 -56.41 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 66' ' ' LEU . 97.2 t -46.2 -52.38 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.87 -57.26 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' A' ' 29' ' ' PRO . 24.9 tp -52.64 -46.94 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.745 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.4 tp -56.75 -72.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -43.08 -52.06 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m-20 -59.4 -43.15 93.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' LEU . 8.7 m -61.35 -55.5 30.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 19.7 mmm180 -50.12 -45.06 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 20.0 t80 -51.53 -46.39 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.84 -49.82 19.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -58.33 -30.05 66.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.719 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.9 -14.9 61.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -120.7 5.77 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.92 30.84 69.91 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -103.08 145.28 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.36 -38.07 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -85.01 163.15 47.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.452 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.02 139.31 24.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.504 HG21 HD12 ' A' ' 26' ' ' ILE . 55.7 t -126.58 165.83 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 11.3 mttt -67.91 145.14 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.646 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -105.59 115.12 62.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 63.77 6.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.646 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.3 m-85 -36.23 -61.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 p -39.33 -55.0 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 24.1 mmmt -48.65 -44.52 37.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' TYR . 38.6 m-85 -76.01 -20.76 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -79.66 -56.01 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.19 -22.91 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.711 ' CG ' HD13 ' A' ' 85' ' ' LEU . 31.9 m-70 -130.52 68.69 81.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -23.9 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' HD11 ' A' ' 85' ' ' LEU . 3.0 mp0 -96.49 -53.83 3.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.711 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.2 mt -114.4 115.83 27.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 27.4 p90 -144.21 177.83 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.887 HG23 HD22 ' A' ' 55' ' ' LEU . 46.4 t -121.5 145.07 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 77' ' ' GLN . 3.5 m -129.94 144.81 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.89 21.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -43.45 153.48 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.99 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.97 174.85 12.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.72 141.11 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.04 29.8 72.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.99 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -147.78 138.51 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.94 -150.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.887 HD22 HG23 ' A' ' 46' ' ' VAL . 37.6 tp -106.4 103.5 12.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 15.1 mtt180 -153.79 156.94 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.25 141.25 1.92 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.97 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.85 -45.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 52.48 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.682 ' HE2' HG23 ' A' ' 53' ' ' ILE . 58.7 m-85 -144.79 154.94 43.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -90.33 149.92 20.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.54 -52.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -42.95 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLY . 13.7 mttt -60.37 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 8' ' ' LEU . 81.4 mt -40.47 -51.55 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.7 mtp180 -54.24 -60.04 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -39.14 -58.5 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.807 HG23 HD11 ' A' ' 76' ' ' ILE . 87.9 mt -48.93 -60.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 11' ' ' GLN . 87.5 mt -51.85 -37.28 51.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.01 -29.59 67.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -99.64 13.18 34.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.745 ' HB2' HD13 ' A' ' 15' ' ' LEU . 86.1 p -50.59 -23.31 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -80.34 -55.9 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -59.69 -41.23 90.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.807 HD11 HG23 ' A' ' 69' ' ' ILE . 8.6 mt -45.37 148.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HB3' HG23 ' A' ' 47' ' ' VAL . 29.2 tt0 -170.52 125.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 19' ' ' ARG . 6.9 m-85 -87.59 99.76 12.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.482 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.1 t -86.04 130.39 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.719 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 10.2 mm -110.09 130.83 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.98 -37.12 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.711 ' O ' HD21 ' A' ' 44' ' ' LEU . 6.5 mtt180 -142.81 94.69 6.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.21 -26.26 66.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.711 HD13 ' CG ' ' A' ' 40' ' ' HIS . 33.6 mt -67.57 -49.89 61.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.654 HD21 HD13 ' A' ' 44' ' ' LEU . 52.0 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HB2' HD13 ' A' ' 66' ' ' LEU . 21.7 mt -62.34 -47.1 85.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.1 mtm105 -37.82 -58.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.06 -48.95 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.621 ' HB2' HD11 ' A' ' 70' ' ' LEU . 2.6 mt-30 -56.7 -53.64 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 HD22 ' A' ' 66' ' ' LEU . 95.8 t -51.31 -60.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.49 -50.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 18' ' ' THR . 29.7 tp -58.49 -47.12 85.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.7 tp -54.81 -61.69 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -55.72 -57.2 12.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.8 m120 -52.05 -47.07 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 25.2 m -60.41 -56.91 15.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -49.07 -45.15 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 24.0 t80 -52.29 -45.47 65.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.14 -50.14 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -59.23 -28.46 66.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.738 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.12 -13.13 60.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.0 pt -121.1 -0.85 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 77.61 27.71 58.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.646 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -99.77 150.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.98 -39.04 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -86.8 166.0 29.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.03 139.03 23.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.646 HG21 HD12 ' A' ' 26' ' ' ILE . 54.4 t -125.48 166.03 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.8 mtmp? -66.44 147.58 53.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.601 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -111.63 115.1 51.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.641 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 66.2 6.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.7 m-85 -35.61 -56.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.67 -55.73 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.5 mmtt -48.27 -42.33 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.0 m-85 -78.4 -22.78 47.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.3 mt -78.83 -57.44 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.82 -22.86 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.796 ' CG ' HD13 ' A' ' 85' ' ' LEU . 41.5 m-70 -129.86 69.26 81.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -15.2 21.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.2 -38.77 16.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.7 mp0 -83.17 -54.38 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.7 mt -111.74 117.67 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.9 p90 -149.05 179.5 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 HD22 ' A' ' 55' ' ' LEU . 79.8 t -123.33 140.29 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 79' ' ' VAL . 3.5 m -122.98 149.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 103.86 -27.54 19.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.855 HD23 HD11 ' A' ' 76' ' ' ILE . 17.3 mt -40.51 154.5 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.984 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.08 178.08 7.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 140.57 43.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.65 73.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.984 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.0 mt -147.06 141.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.77 -150.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.79 HD22 HG23 ' A' ' 46' ' ' VAL . 30.4 tp -102.96 111.11 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt-85 -160.96 168.43 24.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -47.28 132.93 9.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.95 56.81 4.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.7 p30 -156.36 -44.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 11.4 t -58.94 -18.09 30.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.362 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 76.5 m-85 -84.48 173.19 11.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -104.55 152.79 17.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.06 -58.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.63 -45.65 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLY . 10.7 mttt -63.5 -61.65 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.562 HD22 HG21 ' A' ' 12' ' ' VAL . 83.2 mt -40.02 -51.79 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -53.25 -59.59 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -39.87 -63.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' A' ' 76' ' ' ILE . 61.4 mt -40.31 -56.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 11' ' ' GLN . 84.0 mt -55.46 -42.27 74.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.7 mt-10 -69.85 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -114.73 27.81 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.662 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -66.0 -67.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -41.4 -37.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -49.1 20.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.855 HD11 HD23 ' A' ' 49' ' ' LEU . 5.0 mt -46.52 153.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -170.59 125.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.96 99.7 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 78.1 t -85.89 129.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.738 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.1 mm -108.4 130.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.42 -38.24 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.769 ' O ' HD21 ' A' ' 44' ' ' LEU . 47.5 mtp180 -141.75 94.27 7.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.47 19.56 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -59.77 -21.99 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.796 HD13 ' CG ' ' A' ' 40' ' ' HIS . 91.3 mt -70.97 -45.96 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.641 HD22 ' HG2' ' A' ' 33' ' ' PRO . 65.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 66' ' ' LEU . 30.2 mt -57.9 -46.75 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' LEU . 13.1 mtm180 -37.98 -57.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -55.64 -46.41 77.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HB2' HD11 ' A' ' 70' ' ' LEU . 6.6 mt-30 -59.78 -55.76 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.609 HG21 HD22 ' A' ' 66' ' ' LEU . 95.9 t -48.12 -54.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.38 -53.51 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -56.19 -46.63 79.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' A' ' 73' ' ' SER . 35.4 tp -55.96 -62.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -55.82 -54.83 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.5 m120 -53.45 -49.51 67.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 22.8 m -58.01 -58.04 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.1 mmt180 -46.18 -48.52 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.562 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -50.09 -45.82 52.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.77 -49.92 27.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -58.69 -29.08 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.75 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.58 -15.56 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.478 HD11 HG21 ' A' ' 30' ' ' VAL . 23.1 pt -119.44 3.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.45 30.49 64.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.576 HD12 HG21 ' A' ' 30' ' ' VAL . 2.1 mt -103.41 145.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -39.05 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 7.6 pt-20 -84.49 163.13 48.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.01 136.57 20.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG21 HD12 ' A' ' 26' ' ' ILE . 55.4 t -122.47 166.01 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 14.2 mtmt -68.0 144.96 54.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.558 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -106.62 115.8 60.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.588 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.99 67.42 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.2 m-85 -37.23 -57.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.24 -54.08 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 52.3 mmtt -50.76 -39.36 52.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.518 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.9 m-85 -81.83 -19.93 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.1 mt -81.45 -54.77 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -71.14 -22.3 62.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.881 ' CG ' HD13 ' A' ' 85' ' ' LEU . 39.3 m-70 -131.8 67.27 79.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.18 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.94 -48.92 9.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 61.9 mm-40 -78.31 -52.2 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.761 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.7 mt -105.63 114.47 28.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 37.1 p90 -149.01 -178.53 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.729 HG23 HD22 ' A' ' 55' ' ' LEU . 80.0 t -127.74 143.47 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.477 HG22 HG23 ' A' ' 79' ' ' VAL . 15.9 m -124.02 152.03 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -23.58 33.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.163 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 76' ' ' ILE . 62.8 mt -44.3 154.53 0.39 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.974 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 -177.77 3.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.62 139.91 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.81 74.02 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.974 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.8 mt -146.31 141.86 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.12 -151.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.729 HD22 HG23 ' A' ' 46' ' ' VAL . 30.4 tp -102.62 115.66 31.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 6.3 mtt180 -165.25 166.91 18.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -45.45 132.78 6.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.539 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.07 55.81 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 6.3 p30 -155.26 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 34.4 t -58.05 -18.73 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 85.7 m-85 -85.08 171.74 11.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.71 154.58 17.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.95 -62.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.59 -47.04 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -61.66 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 12' ' ' VAL . 83.3 mt -40.16 -49.9 2.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -55.97 -58.49 7.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -40.01 -63.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.834 HG23 HD11 ' A' ' 76' ' ' ILE . 71.6 mt -45.27 -53.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 11' ' ' GLN . 71.6 mt -55.78 -36.06 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -73.53 -23.25 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.83 28.8 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.702 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.68 -67.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' OG ' ' A' ' 73' ' ' SER . 1.8 m120 -42.67 -38.94 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.8 m -70.7 -51.0 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 69' ' ' ILE . 9.5 mt -43.89 154.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' VAL . 9.4 tt0 -170.61 129.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.2 m-85 -90.65 99.48 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.0 t -85.43 131.16 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.75 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.7 mm -110.38 130.8 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -114.38 -42.6 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.761 ' O ' HD21 ' A' ' 44' ' ' LEU . 5.0 mtp85 -135.99 93.42 15.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.24 -25.63 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.881 HD13 ' CG ' ' A' ' 40' ' ' HIS . 94.7 mt -68.28 -44.21 76.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.588 HD22 ' CG ' ' A' ' 33' ' ' PRO . 75.1 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 66' ' ' LEU . 10.8 mt -53.56 -49.26 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -37.67 -53.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -50.48 73.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.479 ' HB2' HD11 ' A' ' 70' ' ' LEU . 7.8 mt-30 -54.01 -58.6 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.654 HG21 HD22 ' A' ' 66' ' ' LEU . 94.0 t -45.28 -60.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -39.64 -51.14 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -58.17 -44.68 88.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.9 tp -57.84 -63.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -50.6 -49.15 57.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.8 m120 -60.97 -60.01 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -45.43 -45.86 13.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 59.0 mmt-85 -61.22 -46.82 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -51.73 -45.5 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -49.12 -49.54 41.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.46 -27.42 66.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.762 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.75 -17.36 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -116.98 1.82 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.28 30.9 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -102.43 145.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -39.19 19.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -84.39 162.05 52.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 137.92 22.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 54.4 t -124.71 165.93 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 24.1 mtmt -68.85 151.11 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.532 HG12 ' CD1' ' A' ' 34' ' ' TYR . 2.9 t -111.1 117.24 50.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.98 68.39 5.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.532 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.7 m-85 -36.96 -59.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -41.13 -57.11 2.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.8 mmtt -45.73 -45.68 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.431 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.6 m-85 -74.99 -24.54 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.1 mt -77.41 -57.85 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.2 mtm -68.51 -22.88 64.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 85' ' ' LEU . 18.6 m-70 -130.37 68.95 81.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -19.49 17.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.13 -32.71 24.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.3 mp0 -88.18 -50.67 6.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.4 mt -116.66 119.27 34.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.6 p90 -147.68 -178.55 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.726 HG23 HD22 ' A' ' 55' ' ' LEU . 39.7 t -124.38 146.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 77' ' ' GLN . 3.0 m -131.01 143.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 108.6 -27.24 13.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.827 HD23 HD11 ' A' ' 76' ' ' ILE . 41.6 mt -40.59 154.06 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.97 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 178.81 6.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.02 142.33 43.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.38 29.68 75.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.97 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.4 mt -147.26 144.7 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.411 ' C ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -138.09 -152.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 46' ' ' VAL . 36.9 tp -101.36 111.58 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.528 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.0 mtt85 -161.88 165.44 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -44.6 132.99 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.96 59.94 5.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.99 -44.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.45 -18.23 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 89.3 m-85 -85.23 174.23 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.18 154.54 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -41.49 -61.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.54 -49.05 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 51.9 mttt -58.29 -62.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.654 HD22 HG21 ' A' ' 12' ' ' VAL . 81.7 mt -39.05 -52.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -52.72 -59.46 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.25 -64.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.753 HG23 HD11 ' A' ' 76' ' ' ILE . 97.2 mt -43.11 -54.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 11' ' ' GLN . 78.4 mt -55.02 -39.47 69.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' LYS . 8.4 mt-10 -71.29 -19.86 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.14 29.07 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.677 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.32 -65.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.82 -47.65 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -51.9 64.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.827 HD11 HD23 ' A' ' 49' ' ' LEU . 6.5 mt -42.72 153.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.467 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.6 tt0 -170.32 130.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -91.12 97.76 11.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.9 t -82.78 130.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.762 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.9 mm -109.4 130.52 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -38.28 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 44' ' ' LEU . 25.3 mtt180 -143.33 95.86 5.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.31 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.5 -21.57 62.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 40' ' ' HIS . 80.7 mt -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' A' ' 33' ' ' PRO . 55.0 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 66' ' ' LEU . 23.5 mt -62.51 -46.21 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' LEU . 5.4 mtm-85 -38.12 -54.69 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.8 -47.56 84.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.8 mt-30 -58.14 -53.61 56.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.644 HG21 HD22 ' A' ' 66' ' ' LEU . 85.6 t -50.91 -56.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -42.59 -51.8 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 18' ' ' THR . 35.2 tp -57.46 -45.98 84.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.1 tp -55.78 -61.67 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -55.77 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.0 m120 -54.07 -47.86 71.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 21.4 m -58.91 -54.43 47.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.439 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmt-85 -51.28 -45.54 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.9 t80 -51.83 -46.42 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.11 -49.28 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -58.75 -29.43 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.685 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.61 -14.52 60.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.8 pt -120.89 6.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.53 31.91 71.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -104.86 144.94 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -85.39 -38.09 19.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.9 pt-20 -83.89 160.18 58.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.03 134.05 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.6 t -120.73 166.22 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 12.9 mtmt -67.18 151.63 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.544 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -114.03 115.91 45.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 68.85 5.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.782 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.6 m-85 -36.85 -58.45 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.81 -56.07 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 16.0 mmtt -47.87 -42.17 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.8 m-85 -78.97 -23.01 44.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.9 mt -79.02 -56.92 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.12 -22.76 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.914 ' CG ' HD13 ' A' ' 85' ' ' LEU . 19.8 m-70 -129.99 69.07 81.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -40.46 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 6.9 mp0 -81.67 -52.69 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.844 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.1 mt -112.39 119.52 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.0 p90 -151.2 -175.49 5.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.713 HG23 HD22 ' A' ' 55' ' ' LEU . 69.4 t -129.33 146.71 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 79' ' ' VAL . 12.6 m -126.52 149.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 104.4 -28.61 14.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.763 HD23 HD11 ' A' ' 76' ' ' ILE . 30.2 mt -40.28 153.47 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.754 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.949 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.5 Cg_endo -74.98 170.98 19.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 140.53 53.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.65 29.92 71.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.949 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -148.28 144.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 -155.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.713 HD22 HG23 ' A' ' 46' ' ' VAL . 29.5 tp -99.14 119.14 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.4 mtt180 -170.61 164.91 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -47.24 135.06 9.23 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.526 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 53.37 3.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -144.17 -46.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.0 t -59.66 -19.66 50.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 87.0 m-85 -84.58 169.78 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -107.66 155.99 16.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.22 -55.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.53 -49.25 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -62.29 -60.59 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 12' ' ' VAL . 82.2 mt -40.26 -51.39 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -55.26 -59.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.88 -63.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.881 HG23 HD11 ' A' ' 76' ' ' ILE . 59.4 mt -44.65 -55.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.6 mt -55.07 -35.6 64.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.5 mt-10 -72.37 -26.48 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.77 28.49 8.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.696 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.23 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -46.65 -35.05 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.7 m -73.68 -48.65 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.881 HD11 HG23 ' A' ' 69' ' ' ILE . 11.5 mt -46.34 155.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.437 ' HB3' HG23 ' A' ' 47' ' ' VAL . 28.4 tt0 -170.47 128.0 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -88.96 98.71 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -84.42 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.685 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.8 mm -110.56 130.71 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -40.05 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.844 ' O ' HD21 ' A' ' 44' ' ' LEU . 20.0 mtt85 -141.79 95.6 6.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.47 20.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.98 -25.63 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.914 HD13 ' CG ' ' A' ' 40' ' ' HIS . 58.3 mt -68.5 -43.34 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 33' ' ' PRO . 70.1 mt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 66' ' ' LEU . 15.3 mt -51.81 -47.09 64.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.79 -60.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -53.01 -47.21 68.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HB2' HD11 ' A' ' 70' ' ' LEU . 7.3 mt-30 -57.99 -60.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.573 HG21 HD22 ' A' ' 66' ' ' LEU . 74.8 t -44.18 -50.99 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -46.06 -54.44 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 18' ' ' THR . 39.1 tp -54.74 -44.44 73.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 73' ' ' SER . 37.8 tp -57.94 -65.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -53.32 -50.46 64.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.6 m120 -58.03 -47.18 83.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 20.0 m -60.62 -56.53 20.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 42.5 mmt-85 -46.95 -47.6 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 19.3 t80 -50.81 -46.0 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.26 24.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -59.08 -29.24 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.7 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.81 -14.02 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -121.15 4.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.87 30.86 67.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -102.37 147.01 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.25 -34.96 18.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -88.8 162.95 37.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 26' ' ' ILE . 55.8 t -124.01 165.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.3 mtmt -67.28 146.72 53.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.565 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -108.38 116.85 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.537 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.99 66.31 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.0 m-85 -36.32 -58.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 38' ' ' LEU . 2.2 p -41.0 -56.37 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.3 mmtt -47.38 -43.18 23.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.8 m-85 -78.12 -23.16 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' TYR . 69.4 mt -77.44 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.1 mtm -67.91 -23.02 65.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.964 ' CG ' HD13 ' A' ' 85' ' ' LEU . 19.6 m-70 -129.98 69.19 81.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.19 18.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -35.94 22.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 11.1 mp0 -84.39 -52.81 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.744 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.9 mt -113.23 118.81 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 34.6 p90 -149.14 -179.59 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.868 HG23 HD22 ' A' ' 55' ' ' LEU . 71.6 t -126.03 139.3 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG22 HG23 ' A' ' 79' ' ' VAL . 4.9 m -119.48 152.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.86 26.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 76' ' ' ILE . 21.1 mt -41.11 155.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.97 -173.88 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.92 140.54 33.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.58 29.68 75.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.5 142.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.84 -153.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.868 HD22 HG23 ' A' ' 46' ' ' VAL . 29.2 tp -101.41 116.56 33.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.0 mtt180 -169.9 163.39 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -41.58 132.55 2.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.527 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.04 57.13 4.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.77 . . . . 0.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -150.11 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.45 -22.46 43.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.644 ' CE2' HG23 ' A' ' 53' ' ' ILE . 92.4 m-85 -80.48 164.52 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -97.82 153.34 20.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.33 -56.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -45.01 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 49.0 mttt -61.77 -62.15 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 8' ' ' LEU . 83.7 mt -39.51 -52.85 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.2 mtt-85 -51.64 -59.97 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.811 HG23 HD11 ' A' ' 76' ' ' ILE . 85.4 mt -44.88 -55.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 11' ' ' GLN . 63.7 mt -55.04 -40.49 70.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.01 -20.88 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.44 28.42 8.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.67 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.2 -63.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.05 -34.51 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.811 HD11 HG23 ' A' ' 69' ' ' ILE . 8.6 mt -44.65 155.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -170.39 126.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.35 99.09 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.516 HG23 HG22 ' A' ' 47' ' ' VAL . 71.6 t -85.67 130.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.7 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.2 mm -109.79 130.95 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.54 -41.85 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.744 ' O ' HD21 ' A' ' 44' ' ' LEU . 28.2 mtt180 -138.27 94.22 11.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.93 19.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.59 -21.77 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.964 HD13 ' CG ' ' A' ' 40' ' ' HIS . 76.1 mt -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.537 HD22 ' CG ' ' A' ' 33' ' ' PRO . 79.9 mt . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 66' ' ' LEU . 25.0 mt -60.06 -41.83 93.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -38.24 -60.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -53.18 -51.73 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' HB2' HD11 ' A' ' 70' ' ' LEU . 11.5 mt-30 -50.54 -52.4 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.485 HG11 ' HB3' ' A' ' 58' ' ' PRO . 95.2 t -51.11 -52.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -45.32 -54.18 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.0 tp -55.2 -47.0 75.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.668 HD21 HD12 ' A' ' 76' ' ' ILE . 33.6 tp -55.05 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -52.12 -57.26 10.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m120 -53.02 -54.31 37.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 50.3 m -53.09 -46.04 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -58.62 -47.62 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.1 t80 -51.37 -45.2 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.73 -49.37 38.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -57.67 -29.92 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.33 -16.4 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.7 pt -119.8 10.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.07 32.09 82.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -104.72 142.73 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -36.73 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.8 pt-20 -83.77 159.68 60.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' LYS . 54.5 t -121.18 166.11 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 13.4 mtmt -69.65 148.86 48.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.533 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.1 t -109.34 117.26 53.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.04 67.14 6.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.769 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.533 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.8 m-85 -36.51 -57.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.0 -55.82 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.4 mmtm -48.5 -41.74 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -79.21 -22.6 44.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.8 mt -78.13 -57.67 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -68.56 -23.12 64.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.877 ' CG ' HD13 ' A' ' 85' ' ' LEU . 18.8 m-70 -130.2 68.84 81.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.91 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -33.33 29.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 5.7 mp0 -86.72 -53.34 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.743 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.4 mt -112.3 118.01 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -148.24 -178.31 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.885 HG23 HD22 ' A' ' 55' ' ' LEU . 90.2 t -127.56 140.74 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.497 HG22 HG23 ' A' ' 79' ' ' VAL . 15.5 m -121.4 151.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -27.73 18.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.644 HD23 HD11 ' A' ' 76' ' ' ILE . 22.7 mt -42.04 153.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.786 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -76.84 145.92 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.58 29.91 76.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.157 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.0 mt -146.06 139.92 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 -153.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.885 HD22 HG23 ' A' ' 46' ' ' VAL . 43.1 tp -105.56 107.94 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 11.3 mtt-85 -157.76 159.14 36.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -45.46 141.02 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 54.56 3.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -141.26 -45.99 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 t -82.43 53.12 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.512 ' HE2' HG23 ' A' ' 53' ' ' ILE . 51.6 m-85 -144.36 176.34 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -108.28 148.75 16.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.37 -58.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.09 -46.3 44.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -56.56 -62.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 8' ' ' LEU . 70.8 mt -41.09 -51.01 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 61.0 mtt-85 -58.69 -57.76 11.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -63.96 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.856 HG23 HD11 ' A' ' 76' ' ' ILE . 70.2 mt -45.46 -51.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 11' ' ' GLN . 79.7 mt -58.16 -37.73 75.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 6.2 mt-10 -72.87 -23.05 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.93 24.21 13.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.667 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.89 -67.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -43.77 -36.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 m -72.52 -46.91 52.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.856 HD11 HG23 ' A' ' 69' ' ' ILE . 11.6 mt -48.26 154.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.406 ' HB3' HG23 ' A' ' 47' ' ' VAL . 25.6 tt0 -170.36 129.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -91.22 96.69 10.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.1 t -81.71 130.48 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.629 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.5 mm -108.95 131.05 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.7 -40.1 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.743 ' O ' HD21 ' A' ' 44' ' ' LEU . 86.9 mtt180 -140.12 94.55 8.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.59 20.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.25 -23.58 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.877 HD13 ' CG ' ' A' ' 40' ' ' HIS . 78.5 mt -70.66 -42.54 70.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.621 HD22 ' HG2' ' A' ' 33' ' ' PRO . 61.5 mt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.566 ' HB2' HD13 ' A' ' 66' ' ' LEU . 40.7 mt -70.48 -40.97 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 10.6 mtm-85 -37.69 -55.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -57.27 -50.94 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HB2' HD11 ' A' ' 70' ' ' LEU . 10.9 mt-30 -52.87 -52.18 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.585 HG21 HD22 ' A' ' 66' ' ' LEU . 74.0 t -53.26 -53.15 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.35 -51.62 8.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 18' ' ' THR . 32.8 tp -57.86 -45.89 85.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 73' ' ' SER . 30.1 tp -56.67 -63.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -53.15 -54.61 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.6 m120 -55.33 -54.83 38.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 36.1 m -51.37 -52.44 45.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -53.23 -49.16 67.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 20.8 t80 -49.76 -46.08 50.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.17 -50.21 21.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -58.58 -29.66 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.658 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.95 -13.98 60.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 21.5 pt -120.78 1.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 75.08 28.81 61.62 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -102.38 144.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.46 -37.25 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 7.5 pt-20 -84.84 162.31 50.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.01 136.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.029 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.7 t -123.75 165.95 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.7 mtmt -67.29 149.46 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.564 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -112.75 116.04 48.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.613 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.93 67.22 5.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.8 m-85 -36.33 -56.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -43.08 -55.53 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.938 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 8.2 mmtt -48.69 -40.04 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.46 ' HB3' HD23 ' A' ' 55' ' ' LEU . 31.1 m-85 -81.13 -21.62 39.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.3 mt -80.38 -58.46 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.48 -23.29 65.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.884 ' CG ' HD13 ' A' ' 85' ' ' LEU . 15.6 m-70 -129.64 69.48 81.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.17 14.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.72 -33.31 35.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 3.4 mp0 -86.63 -54.56 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.735 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.6 mt -112.69 122.22 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 28.9 p90 -152.16 178.62 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.783 HG23 HD22 ' A' ' 55' ' ' LEU . 73.1 t -125.09 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.535 HG22 HG23 ' A' ' 79' ' ' VAL . 4.3 m -119.77 149.48 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.32 -19.63 42.25 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.625 HD23 HD11 ' A' ' 76' ' ' ILE . 27.4 mt -48.64 153.83 1.32 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.988 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.79 139.64 41.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.17 29.86 72.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.988 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -147.22 141.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 -150.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.783 HD22 HG23 ' A' ' 46' ' ' VAL . 31.6 tp -105.01 115.4 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.2 mtt180 -167.17 163.06 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.39 132.95 2.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.536 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -147.27 -46.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.16 -23.55 48.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' HG23 ' A' ' 53' ' ' ILE . 92.5 m-85 -79.47 172.08 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -109.05 155.43 16.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -39.92 -56.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.62 -52.85 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.87 -58.88 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 12' ' ' VAL . 85.6 mt -40.02 -51.3 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 3.0 mtp180 -55.42 -59.15 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -39.32 -63.03 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.7 HG23 HD11 ' A' ' 76' ' ' ILE . 71.8 mt -45.45 -54.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.477 HD12 HD22 ' A' ' 8' ' ' LEU . 84.0 mt -56.35 -37.52 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -71.62 -20.37 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.03 28.76 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.694 ' HB2' HD13 ' A' ' 15' ' ' LEU . 87.0 p -59.46 -51.71 68.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -60.12 3.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 p -51.17 -46.38 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.7 HD11 HG23 ' A' ' 69' ' ' ILE . 5.6 mt -47.91 149.33 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -170.78 125.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.95 99.02 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.6 t -85.11 130.1 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.658 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.0 mm -109.26 130.81 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -42.6 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.735 ' O ' HD21 ' A' ' 44' ' ' LEU . 61.8 mtt180 -138.55 94.76 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -16.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.15 -22.89 31.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.884 HD13 ' CG ' ' A' ' 40' ' ' HIS . 68.4 mt -72.48 -44.64 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.613 HD22 ' HG2' ' A' ' 33' ' ' PRO . 58.1 mt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 24.8 mt -60.7 -46.08 91.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -38.3 -58.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.41 -47.12 73.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.601 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.4 mt-30 -58.5 -54.63 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.558 HG21 HD22 ' A' ' 66' ' ' LEU . 96.9 t -50.35 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.76 -52.87 4.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.5 tp -56.12 -46.16 79.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.2 tp -57.06 -68.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -45.69 -54.6 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.7 m120 -57.03 -60.65 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 30.3 m -44.24 -49.23 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -56.77 -49.7 74.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -49.58 -46.69 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.84 -50.25 26.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -58.6 -29.47 66.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.746 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.71 -16.26 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.442 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.9 pt -118.35 2.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.14 30.31 61.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.8 mt -103.26 143.17 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -83.58 -36.79 23.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.059 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.6 pt-20 -84.39 159.71 58.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.04 134.99 18.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.2 t -122.16 166.05 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 21.4 mtmt -68.99 153.13 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.0 t -113.69 116.54 45.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.05 71.65 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 32' ' ' VAL . 21.1 m-85 -38.56 -59.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.91 -55.81 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 71.0 mmtt -48.31 -42.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 30.4 m-85 -79.44 -22.28 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.0 mt -79.09 -57.86 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.99 -22.6 64.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.809 ' CG ' HD13 ' A' ' 85' ' ' LEU . 21.7 m-70 -129.89 69.15 81.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.1 18.24 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -34.21 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.1 mp0 -86.67 -54.92 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.6 mt -112.11 118.26 34.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.4 p90 -148.51 -178.82 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.685 HG23 HD22 ' A' ' 55' ' ' LEU . 48.5 t -123.35 148.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.9 m -133.94 143.54 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.02 -13.92 40.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.81 HD23 HD11 ' A' ' 76' ' ' ILE . 28.7 mt -53.37 155.53 4.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -172.38 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.37 143.04 30.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.45 30.46 77.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.35 142.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.29 -155.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.685 HD22 HG23 ' A' ' 46' ' ' VAL . 45.5 tp -100.92 110.45 22.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 mtt85 -159.66 170.23 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -47.97 132.82 11.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.518 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.33 3.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.9 p30 -154.04 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.468 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 8.0 t -58.17 -20.79 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 70.2 m-85 -81.35 -179.14 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.14 153.41 17.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -42.22 -58.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.0 -51.15 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' LEU . 52.9 mttt -59.97 -59.75 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.558 HD22 HG21 ' A' ' 12' ' ' VAL . 85.6 mt -39.42 -48.44 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -57.49 -59.04 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -40.85 -63.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.674 HG23 HD11 ' A' ' 76' ' ' ILE . 96.1 mt -42.49 -57.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 11' ' ' GLN . 71.1 mt -52.85 -41.0 63.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.81 -21.62 64.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.77 31.25 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.724 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.63 -66.56 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.2 m-80 -42.1 -44.59 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.8 m -65.43 -45.77 82.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.81 HD11 HD23 ' A' ' 49' ' ' LEU . 4.9 mt -49.45 154.04 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.47 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.8 tt0 -170.62 126.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' A' ' 32' ' ' VAL . 7.0 m-85 -88.26 98.32 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -83.81 130.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.746 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.9 mm -109.65 130.87 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -113.28 -38.72 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.724 ' O ' HD21 ' A' ' 44' ' ' LEU . 25.5 mtp180 -142.09 95.18 6.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.98 20.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.76 -23.38 64.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.809 HD13 ' CG ' ' A' ' 40' ' ' HIS . 71.4 mt -69.68 -44.49 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.628 HD22 ' HG2' ' A' ' 33' ' ' PRO . 65.8 mt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 70' ' ' LEU . 36.4 mt -71.44 -41.44 69.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.751 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -38.77 -59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -52.99 -47.11 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.47 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.2 mt-30 -58.52 -54.92 41.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 HD22 ' A' ' 66' ' ' LEU . 85.7 t -51.02 -61.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' VAL . 3.1 mt-10 -38.55 -49.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.2 tp -60.75 -47.17 87.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.645 HD21 HD12 ' A' ' 76' ' ' ILE . 36.1 tp -54.62 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -58.83 -56.36 23.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.0 m120 -52.51 -44.64 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.2 m -62.88 -59.09 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -47.01 -45.17 20.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 25.0 t80 -52.0 -46.49 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.99 -49.64 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -59.04 -29.98 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.689 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -72.97 -15.84 61.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.4 pt -118.21 -0.26 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 76.6 29.0 58.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 30' ' ' VAL . 1.8 mt -100.89 148.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -39.34 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.3 pt-20 -85.92 164.46 39.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.0 23.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 26' ' ' ILE . 55.3 t -125.17 166.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 25.4 mtmt -67.93 143.87 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -104.26 114.58 64.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.01 66.68 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.62 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.5 m-85 -36.84 -58.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 69.8 mmtt -47.88 -42.59 27.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.3 m-85 -78.5 -22.55 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' TYR . 96.4 mt -78.01 -56.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.7 mtm -69.16 -22.89 63.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.89 ' CG ' HD13 ' A' ' 85' ' ' LEU . 20.0 m-70 -130.17 68.39 81.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.19 15.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -36.93 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 5.6 mp0 -84.04 -52.19 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.4 mt -112.42 121.28 44.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -152.37 -177.68 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.769 HG23 HD22 ' A' ' 55' ' ' LEU . 74.2 t -128.09 143.6 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.503 HG22 HG23 ' A' ' 79' ' ' VAL . 15.3 m -123.52 151.11 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.35 -25.3 27.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.714 HD23 HD11 ' A' ' 76' ' ' ILE . 23.2 mt -42.09 155.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 0.761 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.957 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 -170.26 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 141.42 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.61 29.74 76.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.957 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -144.36 141.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.59 -149.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.769 HD22 HG23 ' A' ' 46' ' ' VAL . 28.3 tp -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.7 mtt180 -158.89 166.09 32.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -45.32 132.83 5.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.0 Cg_endo -75.08 52.96 3.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -151.54 -45.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.67 -19.71 17.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 77.0 m-85 -84.0 179.45 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -114.85 154.76 16.78 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.67 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.44 -52.28 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 2.8 mttp -60.76 -59.56 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 12' ' ' VAL . 86.9 mt -39.76 -50.03 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -55.87 -59.27 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -40.34 -63.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.744 HG23 HD11 ' A' ' 76' ' ' ILE . 87.6 mt -40.96 -60.26 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.551 HD12 HD22 ' A' ' 8' ' ' LEU . 87.7 mt -51.77 -46.12 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.32 -22.42 66.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.68 25.21 12.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.643 ' HB2' HD13 ' A' ' 15' ' ' LEU . 84.8 p -60.14 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -42.11 -41.97 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -68.91 -53.59 20.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.744 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -40.62 152.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 25.5 tt0 -170.25 126.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -86.22 100.4 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -86.93 130.92 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.689 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.8 mm -109.99 130.76 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.14 -41.32 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.721 ' O ' HD21 ' A' ' 44' ' ' LEU . 30.5 mtt85 -139.73 95.0 8.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.97 20.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -59.41 -21.32 59.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.233 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.89 HD13 ' CG ' ' A' ' 40' ' ' HIS . 78.6 mt -73.54 -44.63 57.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.566 HD22 ' HG2' ' A' ' 33' ' ' PRO . 71.3 mt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 21.8 mt -61.8 -47.62 84.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -40.54 -56.33 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -56.17 -45.06 79.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.87 -53.16 60.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 93.0 t -48.93 -56.89 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -43.0 -56.47 3.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 18' ' ' THR . 30.8 tp -54.35 -47.94 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 73' ' ' SER . 38.3 tp -53.17 -63.29 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -54.95 -58.59 7.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.0 m120 -50.15 -48.04 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -60.33 -53.47 57.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 6.7 mmt180 -51.44 -46.48 63.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.59 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -51.55 -47.5 63.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.33 -49.57 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -58.12 -32.3 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.666 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -71.38 -12.49 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.6 pt -122.67 2.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.09 29.69 62.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -103.46 143.57 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 0.78 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.42 -37.94 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.9 pt-20 -83.15 159.64 61.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.5 17.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.5 t -121.24 166.05 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.59 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 15.5 mttt -67.57 147.64 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.589 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -107.71 115.7 58.65 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.0 67.05 5.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.589 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.8 m-85 -37.48 -60.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 75.1 mmtt -46.86 -44.03 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.571 ' HB3' HD23 ' A' ' 55' ' ' LEU . 37.1 m-85 -77.24 -23.65 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 93.9 mt -77.77 -56.23 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.52 -23.02 64.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.71 ' CG ' HD13 ' A' ' 85' ' ' LEU . 40.3 m-70 -130.03 68.81 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.52 20.66 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -37.93 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.8 mp0 -84.12 -53.01 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.7 mt -112.31 117.43 32.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.549 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.7 p90 -148.13 179.91 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.707 HG21 HD13 ' A' ' 55' ' ' LEU . 70.2 t -126.31 139.65 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' GLN . 18.3 m -120.46 153.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 101.49 -27.27 21.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD23 HD11 ' A' ' 76' ' ' ILE . 26.3 mt -40.38 155.53 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.955 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.01 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -84.9 138.21 32.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.68 70.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.955 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.4 mt -144.52 139.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.6 -151.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.707 HD13 HG21 ' A' ' 46' ' ' VAL . 37.8 tp -101.97 90.55 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 1.9 mtt180 -135.31 161.47 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.05 145.9 31.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.497 ' O ' ' CD ' ' A' ' 9' ' ' ARG . 18.3 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -150.58 -46.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 52.6 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 108.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 1.1 m-85 -139.06 -86.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.21 151.42 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.32 -63.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -40.29 -60.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 16.8 mttt -55.54 -59.86 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 78.4 mt -39.35 -50.71 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.6 mtt-85 -59.28 -57.36 13.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -39.85 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.618 HG23 ' CD1' ' A' ' 76' ' ' ILE . 18.2 mt -39.15 -56.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.0 mt -53.41 -48.05 69.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.4 -18.84 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.46 20.74 15.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.641 ' HB2' HD13 ' A' ' 15' ' ' LEU . 32.8 p -55.23 -47.06 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -60.5 -50.83 71.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.4 m -60.49 -46.91 88.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.618 ' CD1' HG23 ' A' ' 69' ' ' ILE . 7.5 mt -45.09 150.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.6 tt0 -170.51 125.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.5 m-85 -87.77 100.65 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 70.4 t -87.45 131.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.666 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 6.6 mm -109.42 131.01 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.84 -37.55 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.777 ' O ' HD21 ' A' ' 44' ' ' LEU . 10.4 mtt180 -143.73 95.04 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -15.24 20.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.31 -23.37 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.71 HD13 ' CG ' ' A' ' 40' ' ' HIS . 35.2 mt -69.75 -46.12 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.606 HD21 HD13 ' A' ' 44' ' ' LEU . 46.5 mt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.518 ' HB2' HD13 ' A' ' 66' ' ' LEU . 34.4 mt -57.02 -46.37 82.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 50.8 mtm-85 -38.76 -57.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -54.64 -42.27 71.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.374 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.4 mt-30 -64.18 -59.58 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 66' ' ' LEU . 85.0 t -44.3 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.19 -54.2 2.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -56.03 -45.87 79.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -56.79 -69.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -44.43 -47.79 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 4.0 m120 -62.69 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -39.5 -40.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -65.99 -49.95 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 29.7 t80 -49.72 -47.19 50.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.54 -49.82 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -58.92 -28.5 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.764 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.0 -19.54 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.6 pt -114.69 8.82 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.56 32.86 82.83 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -102.77 145.71 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.51 -37.78 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -85.73 161.41 50.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.02 137.94 22.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.434 1.755 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 70.9 t -127.69 164.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 3.2 mmmt -61.23 -175.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 34' ' ' TYR . 20.0 t -142.9 117.08 6.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.637 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 67.06 6.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.0 m-85 -36.89 -58.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.07 -55.55 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.3 mmtt -48.65 -42.05 33.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' TYR . 34.3 m-85 -79.1 -22.21 45.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -79.37 -56.69 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -69.08 -22.37 64.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.808 ' CG ' HD13 ' A' ' 85' ' ' LEU . 33.9 m-70 -130.6 68.73 81.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.76 21.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -46.66 9.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.536 ' CD ' HD11 ' A' ' 85' ' ' LEU . 1.5 mt-10 -78.05 -51.62 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.824 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.0 mt -111.41 116.15 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.536 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.7 p90 -147.66 179.41 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.726 HG23 HD22 ' A' ' 55' ' ' LEU . 24.3 t -123.33 146.2 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.9 m -129.47 151.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -26.3 25.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.681 HD23 HD11 ' A' ' 76' ' ' ILE . 33.2 mt -41.08 153.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.78 139.0 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.19 29.79 71.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.9 mt -146.77 142.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.59 -151.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.953 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 46' ' ' VAL . 32.8 tp -102.36 111.23 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.5 mtt180 -159.72 168.49 25.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -52.95 135.37 47.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.511 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 55.55 3.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -144.69 -47.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.68 -32.83 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.624 ' CE1' HG23 ' A' ' 53' ' ' ILE . 86.7 m-85 -68.45 160.66 29.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -100.43 156.26 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.76 -57.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.36 -49.85 32.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.0 mttt -61.21 -58.37 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 12' ' ' VAL . 88.4 mt -40.03 -52.71 2.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -53.81 -56.17 19.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -62.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.546 HG22 HD23 ' A' ' 15' ' ' LEU . 47.7 mt -42.92 -58.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.75 -46.44 64.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.63 -22.05 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.28 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.643 ' HB2' HD13 ' A' ' 15' ' ' LEU . 88.5 p -66.91 -67.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -45.02 -34.15 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -78.31 -43.93 26.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.681 HD11 HD23 ' A' ' 49' ' ' LEU . 2.9 mt -49.49 153.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.43 ' HB3' HG23 ' A' ' 47' ' ' VAL . 16.8 tt0 -170.44 125.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -87.28 98.06 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.536 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -83.1 131.72 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.764 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.5 mm -111.92 130.69 65.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -112.98 -43.48 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.824 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.9 mtp85 -137.24 94.75 12.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.64 20.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.16 -26.62 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.808 HD13 ' CG ' ' A' ' 40' ' ' HIS . 45.2 mt -66.81 -43.32 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.637 HD22 ' CG ' ' A' ' 33' ' ' PRO . 69.6 mt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HB2' HD13 ' A' ' 66' ' ' LEU . 37.5 mt -67.42 -41.42 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.9 mtm-85 -38.03 -62.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -49.8 -44.32 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HB2' HD11 ' A' ' 70' ' ' LEU . 8.3 mt-30 -62.13 -54.2 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.564 HG21 HD22 ' A' ' 66' ' ' LEU . 95.4 t -52.45 -49.23 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -48.46 -53.67 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -55.38 -46.48 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.8 tp -54.79 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -56.06 -55.62 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m120 -52.13 -46.95 65.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.8 m -61.67 -60.3 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.4 mmt180 -42.33 -48.95 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.9 t80 -50.12 -46.69 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.03 -50.77 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.49 -28.99 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.672 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.3 -17.14 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -117.4 3.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.43 30.59 62.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.557 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -102.99 147.5 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -38.96 16.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.9 pt-20 -85.99 164.07 40.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 139.82 24.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.557 HG21 HD12 ' A' ' 26' ' ' ILE . 56.0 t -126.61 165.85 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 27.4 mtmt -69.41 144.8 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 34' ' ' TYR . 4.1 t -105.68 117.72 57.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.617 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.03 65.19 6.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CD1' HG12 ' A' ' 32' ' ' VAL . 17.2 m-85 -35.28 -56.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -55.12 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 11.9 mmtt -49.36 -41.11 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.1 m-85 -79.36 -21.97 45.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.4 mt -79.48 -57.06 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.3 mtm -69.2 -23.03 63.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 85' ' ' LEU . 11.0 m-70 -130.86 68.59 81.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.62 14.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -32.22 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.0 mp0 -87.96 -51.88 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.713 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.0 mt -113.24 120.81 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 41.4 p90 -150.92 -177.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.934 HG23 HD22 ' A' ' 55' ' ' LEU . 89.1 t -130.08 140.51 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.529 HG22 HG23 ' A' ' 79' ' ' VAL . 15.8 m -120.19 152.67 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.11 -24.18 32.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.543 HD23 HD11 ' A' ' 76' ' ' ILE . 25.8 mt -42.41 155.47 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.965 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -176.08 2.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.9 137.29 36.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.69 32.23 74.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.965 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.0 mt -147.96 139.51 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.73 -151.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.934 HD22 HG23 ' A' ' 46' ' ' VAL . 22.4 tp -99.61 112.87 25.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 15.8 mtt85 -163.11 170.53 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 142.33 84.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.511 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.95 1.61 7.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -100.53 10.25 41.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.55 13.31 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 44.4 m-85 -121.78 136.35 54.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.24 50.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.64 -56.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.68 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -61.84 -59.66 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 12' ' ' VAL . 81.9 mt -41.31 -51.97 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 71' ' ' GLU . 11.6 mtp180 -55.47 -59.46 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.52 -64.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.842 HG23 HD11 ' A' ' 76' ' ' ILE . 35.2 mt -44.88 -51.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 11' ' ' GLN . 65.0 mt -58.56 -35.62 72.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' LYS . 5.0 mt-10 -73.7 -22.45 59.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.32 26.74 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.713 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.61 -61.17 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -49.43 -42.13 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -66.94 -47.89 70.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 69' ' ' ILE . 8.4 mt -46.75 153.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' VAL . 24.9 tt0 -170.46 126.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -87.15 97.88 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.7 t -83.19 131.51 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.672 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.2 mm -111.38 130.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.59 -42.6 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.713 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.9 mtp85 -136.57 94.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.96 21.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.64 -21.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 40' ' ' HIS . 95.7 mt -70.62 -44.01 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.617 HD22 ' HG2' ' A' ' 33' ' ' PRO . 64.5 mt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 25.0 mt -60.04 -43.78 95.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 66.5 mtm-85 -38.06 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -52.99 -48.82 67.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -54.94 -54.35 43.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.514 HG11 ' HB3' ' A' ' 58' ' ' PRO . 86.4 t -48.99 -53.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -45.29 -54.97 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.0 tp -54.87 -45.97 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 73' ' ' SER . 38.4 tp -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -53.79 -55.21 28.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.7 m120 -53.56 -50.59 65.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 27.9 m -57.25 -52.24 66.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -51.37 -48.4 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -50.48 -44.51 55.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -50.08 -49.86 49.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -57.77 -29.29 64.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.688 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.23 -19.88 60.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.467 HD11 HG21 ' A' ' 30' ' ' VAL . 22.1 pt -115.31 8.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.29 31.75 78.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -103.48 145.25 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -38.41 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -84.58 161.9 52.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 136.72 20.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.516 HG21 HD12 ' A' ' 26' ' ' ILE . 55.5 t -123.56 165.89 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 10.2 mtmm -68.29 147.67 51.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.511 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -107.77 117.47 55.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 69.11 5.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.511 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.3 m-85 -39.07 -60.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.4 m -39.98 -56.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.948 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' CD ' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -46.09 -45.29 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' TYR . 36.2 m-85 -76.17 -24.25 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.8 mt -76.35 -55.46 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.03 -22.96 63.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.625 ' CG ' HD13 ' A' ' 85' ' ' LEU . 65.5 m-70 -131.1 68.02 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.599 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.34 14.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.425 ' CB ' ' OE2' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -81.94 -34.38 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HG2' HD11 ' A' ' 85' ' ' LEU . 2.5 mp0 -86.81 -49.28 7.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.626 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.2 mt -115.19 118.06 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -147.59 -177.86 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.592 HG23 HD22 ' A' ' 55' ' ' LEU . 42.8 t -125.15 141.71 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.594 HG22 HG23 ' A' ' 79' ' ' VAL . 3.8 m -121.78 146.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -28.71 13.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.694 HD23 HD11 ' A' ' 76' ' ' ILE . 20.3 mt -41.9 153.83 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.993 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.03 -177.93 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.48 145.03 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.86 29.89 76.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.993 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -145.6 138.54 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.592 HD22 HG23 ' A' ' 46' ' ' VAL . 61.2 tp -107.6 110.83 22.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 26.5 mtt180 -162.62 158.54 23.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 5.3 mtt180 -43.03 139.55 2.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.99 52.52 3.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -139.26 -45.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.39 53.38 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 58.4 m-85 -147.05 178.82 8.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -110.52 148.9 17.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.04 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.46 29.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 32.2 mttt -55.97 -62.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 12' ' ' VAL . 76.2 mt -40.13 -49.21 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -60.55 -57.48 12.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -64.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.795 HG23 HD11 ' A' ' 76' ' ' ILE . 60.1 mt -44.22 -53.72 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.6 mt -56.59 -41.55 77.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.69 -23.65 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.66 23.08 14.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.673 ' HB2' HD13 ' A' ' 15' ' ' LEU . 89.8 p -57.19 -67.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.33 -44.84 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -66.69 -49.32 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.795 HD11 HG23 ' A' ' 69' ' ' ILE . 6.6 mt -45.48 150.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -170.5 126.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -84.85 98.88 10.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.594 HG23 HG22 ' A' ' 47' ' ' VAL . 69.6 t -84.14 130.89 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.688 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.8 mm -110.45 130.29 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.95 -49.91 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.626 ' O ' HD21 ' A' ' 44' ' ' LEU . 5.6 mpt_? -131.61 95.58 23.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.92 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -19.25 65.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.625 HD13 ' CG ' ' A' ' 40' ' ' HIS . 23.5 mt -71.12 -45.24 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.507 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 31.0 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 29.7 mt -58.02 -47.53 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mtm105 -36.96 -58.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -54.78 -47.01 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.9 mt-30 -59.36 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.585 HG21 HD22 ' A' ' 66' ' ' LEU . 93.9 t -51.76 -56.17 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -42.44 -51.5 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 18' ' ' THR . 42.9 tp -57.53 -44.62 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.685 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.9 tp -57.9 -64.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -53.78 -50.87 65.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m120 -57.57 -49.72 75.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 23.0 m -58.02 -49.99 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 -55.12 -45.75 75.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 26.2 t80 -52.53 -45.14 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -49.08 -49.52 41.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -57.88 -30.27 65.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.681 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.68 -16.14 61.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.458 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 24.1 pt -119.59 8.4 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.18 32.81 81.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -105.94 143.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -38.2 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.8 pt-20 -83.24 159.95 60.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.45 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.7 t -121.65 165.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.3 mtmt -68.29 150.79 47.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.1 t -112.04 117.9 47.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.636 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.97 68.15 5.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.9 m-85 -36.6 -58.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -41.4 -56.48 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 5.4 mmtp -47.36 -43.56 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.524 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.2 m-85 -77.62 -23.07 49.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -78.73 -57.77 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.4 mtm -68.23 -23.25 64.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.902 ' CG ' HD13 ' A' ' 85' ' ' LEU . 21.9 m-70 -130.32 69.04 81.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -38.38 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.2 mp0 -83.1 -52.8 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.765 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.0 mt -112.0 119.29 37.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.585 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 39.0 p90 -150.03 -178.43 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 55' ' ' LEU . 73.4 t -128.64 138.58 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.507 HG22 HG23 ' A' ' 79' ' ' VAL . 17.7 m -118.65 155.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.65 -23.19 37.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.56 HD23 HD11 ' A' ' 76' ' ' ILE . 24.9 mt -44.71 153.74 0.46 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.971 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 141.57 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 29.92 75.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.971 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.75 141.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.9 -150.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.706 HD13 HG21 ' A' ' 46' ' ' VAL . 23.1 tp -103.81 112.87 26.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.531 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 12.3 mtt85 -160.97 167.22 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.15 132.9 9.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.498 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.96 63.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.86 -43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.4 m -59.04 -22.37 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.314 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 56' ' ' ARG . 88.3 m-85 -78.8 178.03 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.74 154.2 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -41.79 -57.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 -50.24 22.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -60.52 -60.16 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 12' ' ' VAL . 84.3 mt -39.55 -48.03 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -59.41 -57.87 11.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -62.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.827 HG23 HD11 ' A' ' 76' ' ' ILE . 83.6 mt -45.77 -52.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.5 mt -56.66 -39.42 73.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.44 -24.72 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.31 30.54 6.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.685 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.16 -63.55 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -45.57 -43.94 12.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.827 HD11 HG23 ' A' ' 69' ' ' ILE . 9.2 mt -46.1 155.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' VAL . 22.1 tt0 -170.36 129.14 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -90.33 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.585 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.3 t -84.36 132.18 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.681 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.1 mm -112.82 130.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -112.95 -44.75 3.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.765 ' O ' HD21 ' A' ' 44' ' ' LEU . 17.1 mtp180 -133.75 93.08 21.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.63 21.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -60.12 -22.39 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.902 HD13 ' CG ' ' A' ' 40' ' ' HIS . 73.2 mt -70.13 -45.36 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.636 HD22 ' HG2' ' A' ' 33' ' ' PRO . 60.0 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -61.92 121.5 13.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 0.741 . . . . 0.0 109.993 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m 59.23 71.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.78 -167.53 14.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.55 1.156 . . . . 0.0 111.04 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 7' ' ' GLY . 1.5 t -120.18 155.37 33.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.954 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.1 p -66.6 73.75 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -73.18 -2.28 58.48 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.548 1.155 . . . . 0.0 110.96 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.508 ' HB2' HD13 ' A' ' 66' ' ' LEU . 27.0 mt -61.4 -45.3 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 22.6 mtm180 -38.1 -58.36 0.97 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mmtt -55.35 -48.5 74.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.486 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -57.09 -54.11 50.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.62 HG21 HD22 ' A' ' 66' ' ' LEU . 84.6 t -49.72 -57.15 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 110.31 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 34.9 tp -57.09 -46.34 82.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -55.62 -64.15 0.94 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -51.92 -56.81 11.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m120 -53.43 -55.71 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -50.71 -50.3 55.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.393 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 38.1 mmt-85 -55.63 -47.88 75.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.645 ' OH ' HD13 ' A' ' 86' ' ' LEU . 26.5 t80 -51.22 -44.71 61.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.6 -50.27 24.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.4 tttt -58.98 -28.24 66.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.688 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.47 -16.45 60.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.54 HD11 HG21 ' A' ' 30' ' ' VAL . 22.8 pt -118.2 3.71 7.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.34 29.79 65.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -100.86 149.73 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 0.752 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.4 -39.06 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.9 pt-20 -86.68 165.68 31.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.0 Cg_endo -75.0 138.93 23.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.523 1.802 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 26' ' ' ILE . 55.1 t -124.87 165.93 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.364 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' N ' HG12 ' A' ' 30' ' ' VAL . 4.3 mtmp? -68.99 149.83 48.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.475 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.4 t -114.52 116.01 44.01 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.629 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.98 70.98 5.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.476 1.777 . . . . 0.0 111.051 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.5 m-85 -37.32 -59.81 0.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.5 p -40.73 -56.28 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.989 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 10.0 mmtt -47.51 -42.8 23.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.5 m-85 -78.64 -22.88 46.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.4 mt -79.07 -57.53 3.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.4 mtm -68.41 -22.84 64.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.981 ' CG ' HD13 ' A' ' 85' ' ' LEU . 20.0 m-70 -130.36 68.9 81.83 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -22.7 14.56 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.479 1.778 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.48 -27.98 34.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -92.15 -54.51 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.282 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.1 mt -113.28 118.88 35.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.9 p90 -149.76 -179.87 7.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 55' ' ' LEU . 83.1 t -125.79 139.58 51.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.103 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.461 HG22 HG23 ' A' ' 79' ' ' VAL . 17.2 m -119.69 153.75 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.8 -26.26 25.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.74 HD23 HD11 ' A' ' 76' ' ' ILE . 37.8 mt -41.23 154.92 0.22 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.973 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -173.07 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.471 1.774 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -81.94 141.6 33.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.5 29.72 75.85 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.123 . . . . 0.0 110.969 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.973 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.87 142.01 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.94 -151.73 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.788 HD13 HG21 ' A' ' 46' ' ' VAL . 27.7 tp -100.76 118.61 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.563 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt180 -168.3 168.29 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 58' ' ' PRO . 1.3 mtt180 -51.63 135.29 34.91 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.304 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.521 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.79 3.46 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.432 1.753 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -146.04 -46.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 74.7 m -58.31 -29.4 65.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 108.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 85.4 m-85 -73.37 169.11 17.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -105.38 153.97 17.19 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.516 1.135 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.05 -57.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.779 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.11 -50.12 20.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -60.8 -58.56 7.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.62 HD22 HG21 ' A' ' 12' ' ' VAL . 85.9 mt -40.09 -51.94 2.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 71' ' ' GLU . 95.2 mtt-85 -55.76 -57.55 11.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -40.33 -59.47 1.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.878 HG23 HD11 ' A' ' 76' ' ' ILE . 22.7 mt -50.48 -51.67 18.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 11' ' ' GLN . 64.7 mt -57.41 -33.04 67.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.6 mt-10 -76.19 -25.64 55.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -105.59 27.77 8.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.682 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -60.91 -62.13 2.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.097 . . . . 0.0 110.004 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -47.63 -39.73 17.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.7 m -71.27 -47.39 57.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.993 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.878 HD11 HG23 ' A' ' 69' ' ' ILE . 7.8 mt -47.04 153.51 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.2 tt0 -170.41 130.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.28 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.417 ' CE2' HG21 ' A' ' 32' ' ' VAL . 5.5 m-85 -91.7 99.07 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 111.031 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.3 t -85.66 130.74 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.688 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.3 mm -108.89 131.03 60.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.84 -42.5 3.23 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 44' ' ' LEU . 8.8 mtp85 -136.92 93.82 13.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -15.85 20.37 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.484 1.781 . . . . 0.0 110.981 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.73 -23.76 60.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.274 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.981 HD13 ' CG ' ' A' ' 40' ' ' HIS . 82.3 mt -68.53 -45.38 72.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.344 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.648 HD21 HD13 ' A' ' 44' ' ' LEU . 27.9 mt -46.42 -47.12 19.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.3 p -83.07 89.52 6.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.417 1.073 . . . . 0.0 110.418 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -151.58 152.0 32.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.125 . . . . 0.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -159.71 -164.87 15.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.11 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.1 p -112.52 148.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 109.279 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.77 171.82 13.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -98.19 146.49 31.62 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 146.34 32.42 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 36.8 p -77.84 140.85 39.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.102 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -91.36 170.48 34.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -54.82 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.52 1.8 . . . . 0.0 111.022 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 94.4 p -163.02 161.3 25.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -113.36 147.97 36.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.059 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 p -80.97 118.65 22.62 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.034 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -152.55 137.62 17.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.18 176.28 20.77 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -40.08 -84.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 0.772 . . . . 0.0 109.945 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 t -99.32 75.74 2.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.43 -2.43 54.84 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD22 HD12 ' A' ' 70' ' ' LEU . 33.1 mt -58.04 -45.89 86.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 0.76 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -39.01 -58.72 1.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.227 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -54.3 -44.66 72.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.1 mt-30 -61.97 -60.0 4.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.554 HG21 HD22 ' A' ' 66' ' ' LEU . 97.1 t -44.15 -56.63 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -41.31 -52.1 3.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.287 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.6 tp -58.02 -45.3 87.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.692 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.6 tp -56.22 -60.32 3.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.2 m-30 -58.17 -52.8 64.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.0 m120 -55.54 -44.73 77.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.482 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 19.4 m -61.9 -61.98 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -44.48 -45.17 9.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.4 t80 -52.0 -44.76 64.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.31 -49.92 22.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -58.33 -29.54 66.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.655 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.57 -13.17 60.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.361 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.466 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.1 pt -122.13 3.95 5.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.46 28.63 67.33 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.676 HD12 HG21 ' A' ' 30' ' ' VAL . 2.1 mt -101.5 146.75 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.485 0.756 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.55 -38.84 16.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.4 pt-20 -85.94 166.01 31.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.303 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -75.03 139.61 24.41 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.508 1.793 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.676 HG21 HD12 ' A' ' 26' ' ' ILE . 55.1 t -126.49 165.87 23.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.9 mtmp? -66.22 145.33 55.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.641 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -109.55 115.83 55.37 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.568 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.96 63.99 5.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.485 1.781 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.641 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.9 m-85 -36.49 -62.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 1.7 m -39.0 -54.51 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.3 mmmt -48.63 -46.18 39.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' HB3' HD23 ' A' ' 55' ' ' LEU . 36.2 m-85 -73.52 -21.06 60.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 95.8 mt -78.75 -56.04 4.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 74.7 mtm -70.24 -22.24 62.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 111.025 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.818 ' CG ' HD13 ' A' ' 85' ' ' LEU . 24.3 m-70 -131.11 67.89 81.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.628 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -28.48 9.09 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.481 1.779 . . . . 0.0 111.005 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.21 -19.6 56.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG2' HD11 ' A' ' 85' ' ' LEU . 6.1 mp0 -100.94 -51.65 3.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.762 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.0 mt -116.52 114.97 24.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 29.4 p90 -145.24 -178.92 6.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.723 HG23 HD22 ' A' ' 55' ' ' LEU . 92.8 t -126.42 140.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 79' ' ' VAL . 16.1 m -119.77 152.94 22.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.6 -25.85 26.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.498 1.124 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 76' ' ' ILE . 34.2 mt -40.85 155.58 0.2 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.968 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 -167.99 0.47 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.521 1.801 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -87.05 139.15 30.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.07 29.73 74.93 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.968 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.6 mt -144.68 142.74 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.443 ' HA ' HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -136.71 -151.35 0.4 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.723 HD22 HG23 ' A' ' 46' ' ' VAL . 33.8 tp -100.46 115.29 29.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.478 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 11.0 mtt85 -167.76 164.36 14.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -45.46 134.19 5.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.517 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 51.82 2.9 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.538 1.81 . . . . 0.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -143.73 -46.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.256 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -56.55 -26.51 55.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 108.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CE1' HG23 ' A' ' 53' ' ' ILE . 97.3 m-85 -79.33 159.67 27.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -96.74 156.62 21.07 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 111.017 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.83 -60.73 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.511 0.771 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.52 -45.91 13.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.81 -61.18 2.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.585 1.178 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 12' ' ' VAL . 79.3 mt -40.09 -50.87 2.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 83.2 mtt-85 -56.4 -56.17 24.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.589 1.18 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -39.53 -59.93 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.811 HG23 ' CD1' ' A' ' 76' ' ' ILE . 37.4 mt -50.36 -55.47 6.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.5 HD12 HD22 ' A' ' 8' ' ' LEU . 59.2 mt -52.87 -35.13 57.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -73.71 -26.06 60.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.345 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.21 27.76 8.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.692 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.74 -67.39 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.425 ' N ' ' OG ' ' A' ' 73' ' ' SER . 65.1 m-80 -45.36 -35.86 3.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.4 m -72.9 -47.27 47.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.991 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.811 ' CD1' HG23 ' A' ' 69' ' ' ILE . 11.2 mt -48.85 155.26 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 47' ' ' VAL . 10.3 tt0 -170.51 131.68 0.93 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.333 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -91.7 99.31 12.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.523 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.8 t -86.74 131.12 35.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.655 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.9 mm -109.05 130.87 61.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.96 -35.55 5.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.249 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.762 ' O ' HD21 ' A' ' 44' ' ' LEU . 7.4 mtt180 -144.9 94.69 5.35 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -15.86 20.42 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.521 1.8 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.21 -25.88 64.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.818 HD13 ' CG ' ' A' ' 40' ' ' HIS . 76.2 mt -67.05 -51.18 57.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.688 HD21 HD13 ' A' ' 44' ' ' LEU . 53.1 mt -39.39 -77.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.523 ' O ' HG23 ' A' ' 87' ' ' THR . 3.6 t -68.42 85.77 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.73 179.75 7.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -56.77 -85.15 0.03 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.51 1.131 . . . . 0.0 110.983 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 90' ' ' VAL . 3.6 p -96.55 114.41 33.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.543 0.79 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -124.72 95.68 4.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.88 90.44 4.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.26 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -48.62 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.783 . . . . 0.0 111.02 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.3 t -124.48 162.59 23.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.99 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.18 100.07 1.12 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -174.73 2.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.545 1.813 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.8 m -120.35 82.58 1.92 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 72.0 m -42.88 -60.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.482 1.114 . . . . 0.0 110.973 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -141.33 96.9 3.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 0.73 . . . . 0.0 109.989 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -42.77 146.94 0.33 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.45 78.85 0.65 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.545 1.153 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 m -102.74 -60.12 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 110.032 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.497 ' OG ' HD11 ' A' ' 63' ' ' ILE . 72.1 m -122.56 72.03 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.997 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.4 -6.87 43.26 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.509 1.131 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' GLN . 27.7 mt -56.59 -49.14 75.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 0.765 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' LEU . 15.1 mtm180 -38.35 -54.05 1.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -58.79 -44.26 90.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.5 mt-30 -62.4 -53.86 48.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.53 HG11 ' HB3' ' A' ' 58' ' ' PRO . 88.5 t -48.05 -53.0 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -46.8 -54.45 9.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 18' ' ' THR . 43.0 tp -55.48 -46.11 76.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.665 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.8 tp -54.71 -56.94 13.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -61.53 -56.71 16.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.8 m120 -51.81 -43.52 63.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.499 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 31.2 m -64.59 -62.14 1.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mmt180 -43.28 -44.32 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.252 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.597 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 22.9 t80 -52.94 -45.71 67.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.7 -49.04 20.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -58.25 -32.04 67.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.694 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -71.52 -14.96 62.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 19.8 pt -120.37 4.35 6.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.06 31.47 69.45 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.615 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -101.83 150.95 5.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.25 -35.26 15.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.585 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -90.14 164.08 29.24 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.404 ' HD2' ' HB3' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 136.38 20.32 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.615 HG21 HD12 ' A' ' 26' ' ' ILE . 55.2 t -122.59 165.35 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.597 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.8 mtmt -65.9 147.11 53.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -111.0 115.91 52.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.617 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.02 66.1 6.06 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.569 ' CD1' HG12 ' A' ' 32' ' ' VAL . 21.1 m-85 -36.29 -57.49 0.73 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.0 OUTLIER -42.48 -56.43 3.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 15.7 mmtt -46.87 -43.81 19.05 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.145 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.489 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.2 m-85 -76.75 -23.54 52.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.7 mt -78.84 -56.97 4.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.56 1.162 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.8 mtm -68.96 -22.8 64.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.906 ' CG ' HD13 ' A' ' 85' ' ' LEU . 22.8 m-70 -130.61 68.67 81.8 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.568 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.48 -35.12 27.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -86.41 -53.43 5.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.778 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.2 mt -111.7 118.53 35.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 33.7 p90 -148.89 -178.67 6.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.829 HG23 HD22 ' A' ' 55' ' ' LEU . 77.9 t -128.88 139.72 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 79' ' ' VAL . 17.3 m -119.0 155.7 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.08 -22.13 42.44 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.7 HD23 HD11 ' A' ' 76' ' ' ILE . 26.1 mt -47.83 154.79 0.9 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.979 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -176.65 2.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.786 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.99 142.59 36.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 110.311 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 65.17 29.8 76.24 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.559 1.162 . . . . 0.0 111.01 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.979 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.02 142.42 21.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 0.776 . . . . 0.0 109.278 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.31 -153.01 0.49 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.829 HD22 HG23 ' A' ' 46' ' ' VAL . 32.3 tp -101.14 116.92 33.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.501 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 19.0 mtt85 -167.72 165.68 14.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.44 138.13 50.07 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.03 56.8 4.38 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.481 1.78 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.462 ' CG ' ' N ' ' A' ' 60' ' ' CYS . 15.8 p-10 -138.87 -46.36 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.462 ' N ' ' CG ' ' A' ' 59' ' ' ASN . 37.6 t -64.28 -31.44 72.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.332 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.655 ' CE1' HG23 ' A' ' 53' ' ' ILE . 96.5 m-85 -69.84 160.95 30.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 111.017 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.54 157.13 17.65 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.497 HD11 ' OG ' ' A' ' 6' ' ' SER . 1.1 mp -40.22 -56.31 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.509 0.77 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.09 -53.39 16.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.238 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -59.63 -56.98 15.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.483 HD22 HG21 ' A' ' 12' ' ' VAL . 86.8 mt -40.18 -50.02 2.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -59.43 -56.96 15.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.01 -65.7 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.693 HG23 ' CD1' ' A' ' 76' ' ' ILE . 43.1 mt -43.54 -53.42 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.432 HD12 HD22 ' A' ' 8' ' ' LEU . 80.8 mt -55.69 -39.14 70.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.9 mt-10 -70.68 -20.76 62.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.35 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.48 25.68 11.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.665 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.01 -67.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.023 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -43.82 -43.16 6.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.4 m -64.62 -48.83 73.44 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.7 HD11 HD23 ' A' ' 49' ' ' LEU . 11.6 mt -46.76 155.75 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.7 tt0 -170.31 127.99 0.84 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -89.26 99.46 12.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -85.86 130.61 36.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.694 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.5 mm -109.89 131.02 62.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.6 -44.95 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.778 ' O ' HD21 ' A' ' 44' ' ' LEU . 23.0 mtt180 -135.92 94.63 14.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -15.91 20.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.502 1.79 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -57.15 -25.63 59.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.303 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.906 HD13 ' CG ' ' A' ' 40' ' ' HIS . 53.4 mt -67.6 -45.05 76.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.617 HD22 ' CG ' ' A' ' 33' ' ' PRO . 75.8 mt -41.64 -65.47 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.338 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 87' ' ' THR . 7.0 t -81.99 83.81 7.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -78.07 -53.82 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -178.0 120.17 0.71 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.562 1.164 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -137.04 155.69 33.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.422 0.719 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.97 89.34 2.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.6 119.44 30.28 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.1 . . . . 0.0 110.341 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 93.38 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 110.947 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -70.88 143.66 50.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.28 65.51 0.05 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.584 1.178 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 125.18 9.18 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.481 1.78 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.18 142.71 28.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.3 t -93.7 -58.62 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.974 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.973 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 m -111.26 -57.43 2.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 0.746 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -86.3 138.8 31.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.026 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.09 126.86 39.45 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.83 -62.13 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.767 . . . . 0.0 109.968 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -113.44 71.57 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.07 -9.93 37.53 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.47 1.106 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.538 ' HB2' HD13 ' A' ' 66' ' ' LEU . 33.7 mt -52.41 -48.05 65.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 0.791 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.9 mtm105 -38.26 -59.88 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -52.54 -42.14 64.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.3 mt-30 -65.22 -51.18 62.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.57 HG21 HD22 ' A' ' 66' ' ' LEU . 94.5 t -52.24 -51.37 32.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -45.57 -51.01 12.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.284 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.6 tp -58.65 -46.38 87.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.689 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.6 tp -55.22 -60.02 3.98 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.452 1.095 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -57.04 -56.96 14.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.3 m120 -52.54 -48.43 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 35.9 m -59.25 -54.54 45.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 110.401 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 49.0 mmt-85 -50.09 -46.09 53.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -52.06 -45.05 64.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.563 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.16 -48.74 34.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.5 tttp -59.67 -28.4 67.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.082 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.665 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.93 -17.76 60.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.48 HD11 HG21 ' A' ' 30' ' ' VAL . 21.4 pt -116.48 3.24 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 71.7 30.04 66.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.98 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 30' ' ' VAL . 1.8 mt -98.74 154.51 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.448 0.734 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.429 ' CB ' ' OE2' ' A' ' 28' ' ' GLU . 1.3 p -92.65 -35.87 13.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.563 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.6 mm-40 -91.06 165.65 21.07 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.5 21.76 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 110.995 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 26' ' ' ILE . 55.9 t -124.05 165.85 20.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 11.7 mtmt -67.41 148.19 51.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.537 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -111.45 117.05 49.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.589 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.01 66.35 6.04 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.497 1.788 . . . . 0.0 110.965 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.537 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.0 m-85 -35.95 -56.55 0.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 3.1 m -43.28 -56.47 3.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.495 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.6 mmtt -46.76 -43.02 17.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.137 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.526 ' HB3' HD23 ' A' ' 55' ' ' LEU . 33.7 m-85 -77.51 -24.3 50.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.949 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.4 mt -76.38 -54.02 7.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.2 mtm -72.02 -22.41 61.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.949 ' CG ' HD13 ' A' ' 85' ' ' LEU . 63.7 m-70 -132.16 66.38 77.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.635 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -8.9 20.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.479 1.778 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.27 -48.36 7.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 53.7 mm-40 -79.87 -51.04 9.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' O ' ' A' ' 82' ' ' ARG . 5.6 mt -105.69 107.06 17.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.568 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.0 p90 -143.86 -178.4 5.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 111.038 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.63 HG23 HD22 ' A' ' 55' ' ' LEU . 96.1 t -127.83 144.97 35.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 79' ' ' VAL . 14.4 m -123.7 153.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.33 -26.86 23.04 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.75 HD23 HD11 ' A' ' 76' ' ' ILE . 27.9 mt -43.58 153.78 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 0.749 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.944 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 172.72 15.81 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -70.5 140.32 51.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.55 29.8 71.31 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.478 1.111 . . . . 0.0 110.96 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.944 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -148.34 142.96 19.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.511 0.771 . . . . 0.0 109.309 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.08 -151.14 0.39 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.958 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.63 HD22 HG23 ' A' ' 46' ' ' VAL . 41.0 tp -101.12 118.24 36.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.537 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 18.4 mtt180 -167.24 166.98 14.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -50.69 134.85 26.77 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.31 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.07 56.21 4.22 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -145.69 -47.13 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.1 t -58.39 -35.67 72.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 108.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.578 ' CE1' HG23 ' A' ' 53' ' ' ILE . 94.4 m-85 -65.58 164.73 13.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.68 155.27 17.84 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.133 . . . . 0.0 110.994 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.0 OUTLIER -39.62 -56.37 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.306 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.78 -50.99 31.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 109.258 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.6 mttt -59.39 -59.13 5.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD22 HG21 ' A' ' 12' ' ' VAL . 86.3 mt -39.9 -52.56 2.39 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' GLU . 6.3 mtt180 -54.36 -59.15 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 110.327 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.98 -61.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.894 HG23 HD11 ' A' ' 76' ' ' ILE . 65.0 mt -48.6 -54.45 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.5 mt -55.76 -33.79 64.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ARG . 3.9 mt-10 -75.69 -26.8 57.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.512 1.132 . . . . 0.0 110.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -104.55 24.34 11.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.689 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -57.27 -63.13 1.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.003 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 -46.19 -45.19 16.65 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.8 m -65.8 -45.65 81.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.958 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.894 HD11 HG23 ' A' ' 69' ' ' ILE . 8.5 mt -48.1 153.11 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 47' ' ' VAL . 31.9 tt0 -170.46 131.65 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -92.51 98.2 11.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.568 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.5 t -84.37 130.72 35.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.665 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.3 mm -109.1 130.92 61.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -115.09 -41.89 3.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.775 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.4 OUTLIER -134.93 92.51 18.61 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -16.06 20.31 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.527 1.804 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.71 -25.57 64.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.949 HD13 ' CG ' ' A' ' 40' ' ' HIS . 77.0 mt -68.16 -47.07 69.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.589 HD22 ' HG2' ' A' ' 33' ' ' PRO . 74.5 mt -41.65 -61.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.515 ' O ' HG23 ' A' ' 87' ' ' THR . 3.8 t -84.05 89.28 7.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.368 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.12 -57.48 3.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 124.93 122.17 2.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.574 1.171 . . . . 0.0 110.977 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.1 p -165.65 134.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.91 175.05 7.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.62 119.45 4.98 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 67.62 5.92 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.537 1.809 . . . . 0.0 111.012 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 46.53 -162.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.995 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.35 80.47 0.08 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.163 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 145.35 31.36 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.513 1.796 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.1 m -166.73 108.09 0.67 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 110.007 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 83.1 p -132.08 103.28 6.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.449 1.093 . . . . 0.0 111.009 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 m 60.09 168.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.974 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.01 126.46 14.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.978 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.08 -129.33 1.29 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.2 m -75.77 -63.51 1.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.475 0.75 . . . . 0.0 110.032 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.5 p 41.31 74.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.039 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.78 -3.29 54.71 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.951 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 23.4 mt -62.15 -46.16 90.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 0.738 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.32 -52.56 2.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -60.29 -43.18 96.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.7 mt-30 -64.23 -60.07 3.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.593 HG21 HD22 ' A' ' 66' ' ' LEU . 97.3 t -42.81 -59.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -43.59 -54.45 4.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.525 HD11 ' HG3' ' A' ' 29' ' ' PRO . 23.2 tp -55.11 -46.15 75.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.576 HD21 HD12 ' A' ' 76' ' ' ILE . 37.6 tp -55.65 -68.65 0.18 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -46.43 -53.79 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.3 m120 -57.6 -42.31 82.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.412 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 15.9 m -62.77 -55.02 30.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 20.7 mmm180 -51.22 -44.28 61.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 26.3 t80 -53.01 -44.51 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.44 24.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -59.66 -28.57 67.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.609 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.72 -18.45 60.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.477 HD11 HG21 ' A' ' 30' ' ' VAL . 21.9 pt -115.16 1.6 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.46 29.31 64.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.534 1.147 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.78 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -97.44 156.65 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.1 p -93.09 -38.79 11.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -91.12 169.7 11.11 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.274 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.525 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.4 Cg_endo -74.98 142.97 28.57 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.78 HG21 HD12 ' A' ' 26' ' ' ILE . 55.0 t -130.19 165.99 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.599 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 12.6 mtmt -69.84 144.33 52.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.5 t -104.83 116.98 59.93 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.0 65.28 6.07 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.521 1.8 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.561 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.4 m-85 -36.32 -59.31 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 38' ' ' LEU . 8.1 m -40.93 -56.65 2.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.016 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.494 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 51.3 mmtt -46.48 -44.68 17.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -76.28 -23.95 54.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.9 mt -75.67 -59.24 2.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -67.62 -23.25 65.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.891 ' CG ' HD13 ' A' ' 85' ' ' LEU . 14.5 m-70 -129.57 69.35 81.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 109.582 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -26.95 10.36 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.501 1.79 . . . . 0.0 111.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.98 -31.27 56.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -87.64 -54.07 4.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.5 mt -113.7 120.76 41.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.512 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 31.5 p90 -148.61 178.77 8.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.903 HG23 HD22 ' A' ' 55' ' ' LEU . 67.5 t -122.63 144.87 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.55 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.5 m -129.39 146.48 34.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.85 -24.0 29.52 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 21.7 mt -43.99 153.35 0.42 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.983 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.03 166.68 28.65 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -66.86 142.12 57.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.06 29.99 70.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.983 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.7 mt -148.14 142.16 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.93 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.022 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.903 HD22 HG23 ' A' ' 46' ' ' VAL . 24.3 tp -105.04 103.45 13.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 16.8 mtt180 -151.38 174.38 13.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 110.259 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.39 146.69 97.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.267 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 1.51 7.65 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -108.48 23.86 13.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.56 23.05 1.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 108.329 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 33.6 m-85 -128.09 179.93 5.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -106.68 162.53 13.64 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.561 1.163 . . . . 0.0 111.005 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.501 HG22 ' N ' ' A' ' 64' ' ' ALA . 0.9 OUTLIER -51.47 -68.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 0.74 . . . . 0.0 109.289 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.501 ' N ' HG22 ' A' ' 63' ' ' ILE . . . -40.96 -40.36 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 22.4 mttt -66.71 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.593 HD22 HG21 ' A' ' 12' ' ' VAL . 88.6 mt -39.97 -51.49 2.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 68' ' ' LYS . 6.7 mtt-85 -55.82 -57.67 11.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.73 -63.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.556 HG23 HD11 ' A' ' 76' ' ' ILE . 57.7 mt -43.01 -54.81 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.7 mt -55.69 -47.52 76.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.71 -16.77 58.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.296 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.98 19.83 16.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.571 ' HB2' HD13 ' A' ' 15' ' ' LEU . 28.5 p -55.2 -56.55 18.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -55.08 -49.19 72.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.1 m -59.0 -47.27 85.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.576 HD12 HD21 ' A' ' 15' ' ' LEU . 13.7 mt -45.72 155.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.55 ' HB3' HG23 ' A' ' 47' ' ' VAL . 30.9 tt0 -170.79 125.74 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 19' ' ' ARG . 6.2 m-85 -89.53 97.25 11.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.512 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -83.24 130.17 36.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.609 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.2 mm -110.35 130.6 63.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 -38.19 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.721 ' O ' HD21 ' A' ' 44' ' ' LEU . 26.9 mtp180 -141.64 94.59 7.36 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.35 20.94 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.8 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -60.86 -21.13 62.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.891 HD13 ' CG ' ' A' ' 40' ' ' HIS . 91.7 mt -72.1 -43.14 65.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.697 HD21 HD13 ' A' ' 44' ' ' LEU . 25.5 mt -50.84 -46.54 60.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 78.1 p -76.42 88.27 3.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.422 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -75.92 141.7 42.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 38.54 -118.96 0.8 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.0 p -175.73 126.72 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.521 0.777 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.88 120.91 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.39 129.43 89.05 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.341 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 79.12 2.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.78 . . . . 0.0 111.017 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.2 150.67 18.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.089 . . . . 0.0 110.016 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -160.5 126.09 1.56 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 110.966 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -167.62 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.4 p -118.0 143.64 46.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.972 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.76 143.75 19.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 110.043 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.476 1.11 . . . . 0.0 110.995 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.38 124.32 24.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 0.746 . . . . 0.0 110.013 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -163.04 -55.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.68 -165.89 31.65 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -50.66 -68.71 0.15 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 0.779 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.9 p -121.68 74.74 1.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.986 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.23 -3.18 56.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.616 ' HB2' HD13 ' A' ' 66' ' ' LEU . 35.9 mt -56.34 -44.53 80.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.7 mtm105 -40.31 -56.38 1.99 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -55.37 -40.44 71.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HB2' HD11 ' A' ' 70' ' ' LEU . 20.9 mt-30 -65.47 -56.41 12.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.587 HG21 HD22 ' A' ' 66' ' ' LEU . 97.2 t -46.2 -52.38 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -44.87 -57.26 3.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.338 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.452 HD11 ' HG3' ' A' ' 29' ' ' PRO . 24.9 tp -52.64 -46.94 67.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.745 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.4 tp -56.75 -72.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.328 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -43.08 -52.06 5.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m-20 -59.4 -43.15 93.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 14' ' ' LEU . 8.7 m -61.35 -55.5 30.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.384 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.49 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 19.7 mmm180 -50.12 -45.06 52.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 110.34 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.601 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 20.0 t80 -51.53 -46.39 63.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.84 -49.82 19.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.3 tttp -58.33 -30.05 66.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.719 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.9 -14.9 61.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -120.7 5.77 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.92 30.84 69.91 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -103.08 145.28 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 0.775 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.36 -38.07 19.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.571 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -85.01 163.15 47.09 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.452 ' HG3' HD11 ' A' ' 14' ' ' LEU . 18.1 Cg_endo -75.02 139.31 24.07 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.504 HG21 HD12 ' A' ' 26' ' ' ILE . 55.7 t -126.58 165.83 24.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.601 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 11.3 mttt -67.91 145.14 54.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.568 1.168 . . . . 0.0 109.249 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.646 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -105.59 115.12 62.28 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.455 1.097 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 63.77 6.01 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.807 . . . . 0.0 110.99 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.646 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.3 m-85 -36.23 -61.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.7 p -39.33 -55.0 1.8 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.989 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.474 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 24.1 mmmt -48.65 -44.52 37.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' TYR . 38.6 m-85 -76.01 -20.76 57.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.4 mt -79.66 -56.01 4.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 71.0 mtm -69.19 -22.91 63.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 111.031 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.711 ' CG ' HD13 ' A' ' 85' ' ' LEU . 31.9 m-70 -130.52 68.69 81.74 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.634 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.16 11.24 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 110.985 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -23.9 45.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.262 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' HG2' HD11 ' A' ' 85' ' ' LEU . 3.0 mp0 -96.49 -53.83 3.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.711 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.2 mt -114.4 115.83 27.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 0.0 109.349 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.482 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 27.4 p90 -144.21 177.83 8.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.887 HG23 HD22 ' A' ' 55' ' ' LEU . 46.4 t -121.5 145.07 28.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.531 1.144 . . . . 0.0 109.268 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.45 HG23 ' HB3' ' A' ' 77' ' ' GLN . 3.5 m -129.94 144.81 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 108.41 -24.89 21.42 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.1 mt -43.45 153.48 0.37 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.52 0.777 . . . . 0.0 109.356 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.99 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.97 174.85 12.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -72.72 141.11 48.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.04 29.8 72.27 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.464 1.102 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.99 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.7 mt -147.78 138.51 17.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.94 -150.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.986 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.887 HD22 HG23 ' A' ' 46' ' ' VAL . 37.6 tp -106.4 103.5 12.97 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.469 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 15.1 mtt180 -153.79 156.94 38.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.25 141.25 1.92 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.97 54.47 3.63 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.465 1.771 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -138.85 -45.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.02 52.48 2.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 108.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.682 ' HE2' HG23 ' A' ' 53' ' ' ILE . 58.7 m-85 -144.79 154.94 43.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -90.33 149.92 20.52 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.495 1.122 . . . . 0.0 111.013 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -41.54 -52.39 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -55.1 -42.95 73.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.365 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLY . 13.7 mttt -60.37 -63.5 1.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.616 HD13 ' HB2' ' A' ' 8' ' ' LEU . 81.4 mt -40.47 -51.55 2.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.7 mtp180 -54.24 -60.04 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.276 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.441 ' HB3' ' CG ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -39.14 -58.5 1.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.807 HG23 HD11 ' A' ' 76' ' ' ILE . 87.9 mt -48.93 -60.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 ' HB2' ' A' ' 11' ' ' GLN . 87.5 mt -51.85 -37.28 51.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -69.01 -29.59 67.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -99.64 13.18 34.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.745 ' HB2' HD13 ' A' ' 15' ' ' LEU . 86.1 p -50.59 -23.31 2.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.02 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -80.34 -55.9 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -59.69 -41.23 90.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.017 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.807 HD11 HG23 ' A' ' 69' ' ' ILE . 8.6 mt -45.37 148.75 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.45 ' HB3' HG23 ' A' ' 47' ' ' VAL . 29.2 tt0 -170.52 125.59 0.73 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 19' ' ' ARG . 6.9 m-85 -87.59 99.76 12.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.482 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.1 t -86.04 130.39 36.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.719 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 10.2 mm -110.09 130.83 62.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.98 -37.12 4.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.711 ' O ' HD21 ' A' ' 44' ' ' LEU . 6.5 mtt180 -142.81 94.69 6.47 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.142 . . . . 0.0 110.317 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.53 21.14 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.21 -26.26 66.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.711 HD13 ' CG ' ' A' ' 40' ' ' HIS . 33.6 mt -67.57 -49.89 61.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.654 HD21 HD13 ' A' ' 44' ' ' LEU . 52.0 mt -41.15 -52.71 3.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 75.3 p -66.97 85.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 110.378 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.72 74.79 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.78 101.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.146 . . . . 0.0 111.037 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 90' ' ' VAL . 13.1 p -172.28 105.31 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 0.791 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.52 61.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 63.35 119.73 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -173.84 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.502 1.791 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.2 m -67.44 -77.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.982 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 78.11 176.96 47.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.114 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 136.58 20.45 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.434 1.755 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 p -170.98 124.8 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.024 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.3 m 59.88 154.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.499 1.125 . . . . 0.0 111.031 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.12 118.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.013 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.4 t -169.32 -59.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.972 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.91 -169.51 45.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.18 -70.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 0.776 . . . . 0.0 110.02 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -80.68 73.11 7.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.77 -5.21 50.62 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.466 1.104 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' HB2' HD13 ' A' ' 66' ' ' LEU . 21.7 mt -62.34 -47.1 85.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 0.77 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LEU . 7.1 mtm105 -37.82 -58.55 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.0 mttt -55.06 -48.95 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.621 ' HB2' HD11 ' A' ' 70' ' ' LEU . 2.6 mt-30 -56.7 -53.64 55.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.562 HG21 HD22 ' A' ' 66' ' ' LEU . 95.8 t -51.31 -60.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.49 -50.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 18' ' ' THR . 29.7 tp -58.49 -47.12 85.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.662 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.7 tp -54.81 -61.69 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.6 m-30 -55.72 -57.2 12.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.8 m120 -52.05 -47.07 65.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.498 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 25.2 m -60.41 -56.91 15.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.38 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -49.07 -45.15 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 110.248 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 24.0 t80 -52.29 -45.47 65.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.14 -50.14 20.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.5 tttp -59.23 -28.46 66.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.738 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.12 -13.13 60.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.228 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.0 pt -121.1 -0.85 7.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 77.61 27.71 58.62 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.506 1.129 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.646 HD12 HG21 ' A' ' 30' ' ' VAL . 1.7 mt -99.77 150.69 5.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 0.752 . . . . 0.0 109.357 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.98 -39.04 13.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -86.8 166.0 29.33 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.282 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.03 139.03 23.72 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.646 HG21 HD12 ' A' ' 26' ' ' ILE . 54.4 t -125.48 166.03 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 2.8 mtmp? -66.44 147.58 53.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.601 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -111.63 115.1 51.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.641 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 66.2 6.04 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.499 1.789 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.7 m-85 -35.61 -56.98 0.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.572 1.17 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.67 -55.73 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.985 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 13.5 mmtt -48.27 -42.33 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.52 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.0 m-85 -78.4 -22.78 47.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.3 mt -78.83 -57.44 3.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 1.116 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.82 -22.86 65.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 111.055 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.796 ' CG ' HD13 ' A' ' 85' ' ' LEU . 41.5 m-70 -129.86 69.26 81.57 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -15.2 21.02 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.2 -38.77 16.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.438 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.7 mp0 -83.17 -54.38 5.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.769 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.7 mt -111.74 117.67 33.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.504 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.9 p90 -149.05 179.5 7.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.79 HG23 HD22 ' A' ' 55' ' ' LEU . 79.8 t -123.33 140.29 47.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 79' ' ' VAL . 3.5 m -122.98 149.02 26.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 103.86 -27.54 19.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.855 HD23 HD11 ' A' ' 76' ' ' ILE . 17.3 mt -40.51 154.5 0.2 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.537 0.787 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.984 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.08 178.08 7.75 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.502 1.79 . . . . 0.0 110.946 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -75.0 140.57 43.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.33 29.65 73.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.984 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.0 mt -147.06 141.12 20.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.77 -150.95 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.974 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.79 HD22 HG23 ' A' ' 46' ' ' VAL . 30.4 tp -102.96 111.11 23.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.566 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 12.3 mtt-85 -160.96 168.43 24.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.242 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtt180 -47.28 132.93 9.69 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.542 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.95 56.81 4.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.532 1.806 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.47 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.7 p30 -156.36 -44.55 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 109.245 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.47 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 11.4 t -58.94 -18.09 30.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 108.362 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 76.5 m-85 -84.48 173.19 11.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -104.55 152.79 17.52 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.116 . . . . 0.0 111.022 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.06 -58.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.63 -45.65 28.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' GLY . 10.7 mttt -63.5 -61.65 2.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.562 HD22 HG21 ' A' ' 12' ' ' VAL . 83.2 mt -40.02 -51.79 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -53.25 -59.59 4.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.247 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.1 OUTLIER -39.87 -63.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.547 HG23 ' CD1' ' A' ' 76' ' ' ILE . 61.4 mt -40.31 -56.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.621 HD11 ' HB2' ' A' ' 11' ' ' GLN . 84.0 mt -55.46 -42.27 74.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 68' ' ' LYS . 4.7 mt-10 -69.85 -15.59 63.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 68' ' ' LYS . . . -114.73 27.81 9.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.662 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -66.0 -67.9 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.028 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -41.4 -37.25 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.21 -49.1 20.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.005 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.855 HD11 HD23 ' A' ' 49' ' ' LEU . 5.0 mt -46.52 153.86 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -170.59 125.75 0.73 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -84.96 99.7 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.162 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 78.1 t -85.89 129.55 37.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.738 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.1 mm -108.4 130.96 60.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.44 1.087 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.42 -38.24 4.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.769 ' O ' HD21 ' A' ' 44' ' ' LEU . 47.5 mtp180 -141.75 94.27 7.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -17.47 19.56 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.464 1.77 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -59.77 -21.99 61.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.796 HD13 ' CG ' ' A' ' 40' ' ' HIS . 91.3 mt -70.97 -45.96 63.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.641 HD22 ' HG2' ' A' ' 33' ' ' PRO . 65.1 mt -42.05 -60.98 1.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 87' ' ' THR . 4.2 t -85.9 82.0 8.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.339 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -100.7 -55.43 2.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 162.84 170.52 27.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.509 1.13 . . . . 0.0 110.957 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.6 p -171.22 152.55 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 0.776 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.11 163.63 12.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.35 93.77 2.64 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 136.57 20.62 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.502 1.79 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.3 t -149.39 -47.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.978 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 173.9 156.88 14.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 94.8 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 31.2 t -123.53 157.71 32.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.5 p -112.21 129.25 56.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 110.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.515 1.134 . . . . 0.0 110.993 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -152.82 -59.87 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 48.99 97.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 110.036 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.45 103.87 0.25 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 47.71 95.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 0.78 . . . . 0.0 110.011 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p 45.43 65.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.0 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.8 -7.78 44.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.471 1.107 . . . . 0.0 111.037 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 66' ' ' LEU . 30.2 mt -57.9 -46.75 84.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.558 0.799 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 8' ' ' LEU . 13.1 mtm180 -37.98 -57.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -55.64 -46.41 77.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HB2' HD11 ' A' ' 70' ' ' LEU . 6.6 mt-30 -59.78 -55.76 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.609 HG21 HD22 ' A' ' 66' ' ' LEU . 95.9 t -48.12 -54.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -42.38 -53.51 4.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -56.19 -46.63 79.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD13 ' HB2' ' A' ' 73' ' ' SER . 35.4 tp -55.96 -62.77 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 -55.82 -54.83 39.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.5 m120 -53.45 -49.51 67.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.501 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 22.8 m -58.01 -58.04 10.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.1 mmt180 -46.18 -48.52 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.562 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -50.09 -45.82 52.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.96 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.77 -49.92 27.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -58.69 -29.08 66.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.75 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.58 -15.56 60.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.478 HD11 HG21 ' A' ' 30' ' ' VAL . 23.1 pt -119.44 3.64 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 72.45 30.49 64.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.506 1.129 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.576 HD12 HG21 ' A' ' 30' ' ' VAL . 2.1 mt -103.41 145.64 12.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 0.754 . . . . 0.0 109.283 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.1 -39.05 18.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.018 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 7.6 pt-20 -84.49 163.13 48.53 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.01 136.57 20.55 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.414 1.744 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG21 HD12 ' A' ' 26' ' ' ILE . 55.4 t -122.47 166.01 17.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 14.2 mtmt -68.0 144.96 54.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.258 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.558 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.7 t -106.62 115.8 60.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.588 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.99 67.42 5.92 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.517 1.798 . . . . 0.0 111.039 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.558 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.2 m-85 -37.23 -57.28 0.89 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 111.007 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.24 -54.08 3.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 52.3 mmtt -50.76 -39.36 52.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.518 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.9 m-85 -81.83 -19.93 40.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' TYR . 94.1 mt -81.45 -54.77 5.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -71.14 -22.3 62.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.881 ' CG ' HD13 ' A' ' 85' ' ' LEU . 39.3 m-70 -131.8 67.27 79.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.609 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -13.18 21.48 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.427 1.751 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.94 -48.92 9.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.561 1.163 . . . . 0.0 110.311 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.503 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 61.9 mm-40 -78.31 -52.2 8.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 110.345 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.761 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.7 mt -105.63 114.47 28.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.572 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 37.1 p90 -149.01 -178.53 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 111.03 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.729 HG23 HD22 ' A' ' 55' ' ' LEU . 80.0 t -127.74 143.47 40.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.477 HG22 HG23 ' A' ' 79' ' ' VAL . 15.9 m -124.02 152.03 29.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.17 -23.58 33.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.562 1.163 . . . . 0.0 110.959 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.669 HD23 HD11 ' A' ' 76' ' ' ILE . 62.8 mt -44.3 154.53 0.39 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.974 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 -177.77 3.69 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.483 1.78 . . . . 0.0 110.993 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.62 139.91 38.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.79 29.81 74.02 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.974 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.8 mt -146.31 141.86 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 0.764 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.12 -151.14 0.41 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.729 HD22 HG23 ' A' ' 46' ' ' VAL . 30.4 tp -102.62 115.66 31.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 6.3 mtt180 -165.25 166.91 18.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 mtt180 -45.45 132.78 6.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.539 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.07 55.81 4.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.468 1.773 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 6.3 p30 -155.26 -44.14 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.478 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 34.4 t -58.05 -18.73 26.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 85.7 m-85 -85.08 171.74 11.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.152 . . . . 0.0 110.95 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -103.71 154.58 17.87 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.95 -62.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.59 -47.04 7.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.1 mttt -61.66 -62.19 1.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.609 HD22 HG21 ' A' ' 12' ' ' VAL . 83.3 mt -40.16 -49.9 2.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -55.97 -58.49 7.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 2.1 mttp -40.01 -63.02 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.834 HG23 HD11 ' A' ' 76' ' ' ILE . 71.6 mt -45.27 -53.87 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 11' ' ' GLN . 71.6 mt -55.78 -36.06 66.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -73.53 -23.25 59.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.83 28.8 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.702 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.68 -67.95 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.023 179.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' OG ' ' A' ' 73' ' ' SER . 1.8 m120 -42.67 -38.94 2.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 74.8 m -70.7 -51.0 30.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.042 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.834 HD11 HG23 ' A' ' 69' ' ' ILE . 9.5 mt -43.89 154.7 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' VAL . 9.4 tt0 -170.61 129.71 0.83 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.2 m-85 -90.65 99.48 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.572 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.0 t -85.43 131.16 34.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.35 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.75 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.7 mm -110.38 130.8 63.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.503 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -114.38 -42.6 3.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.761 ' O ' HD21 ' A' ' 44' ' ' LEU . 5.0 mtp85 -135.99 93.42 15.36 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -15.71 20.73 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.527 1.804 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.24 -25.63 67.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.881 HD13 ' CG ' ' A' ' 40' ' ' HIS . 94.7 mt -68.28 -44.21 76.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.588 HD22 ' CG ' ' A' ' 33' ' ' PRO . 75.1 mt -42.05 -29.5 0.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.593 HG23 ' H ' ' A' ' 88' ' ' GLU . 0.7 OUTLIER -168.84 -59.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 110.387 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.593 ' H ' HG23 ' A' ' 87' ' ' THR . 10.2 pt-20 -174.52 -40.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 156.14 -157.0 27.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' A' ' 91' ' ' LYS . 52.0 t -62.78 106.62 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 90' ' ' VAL . 0.0 OUTLIER 169.0 113.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -169.71 80.44 0.65 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.53 1.805 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.42 136.51 12.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.043 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.19 97.98 0.95 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.512 1.133 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.96 5.57 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.1 m -153.08 135.42 15.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 99.5 p 179.98 136.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.558 1.161 . . . . 0.0 110.988 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 m 47.43 78.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 110.002 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t 60.49 80.52 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.978 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.76 -170.9 24.3 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t 60.38 117.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 p 46.74 63.26 1.98 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.023 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -56.46 -16.61 16.16 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 66' ' ' LEU . 10.8 mt -53.56 -49.26 68.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 0.742 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -37.67 -53.44 1.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 110.285 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.81 -50.48 73.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' HB2' HD11 ' A' ' 70' ' ' LEU . 7.8 mt-30 -54.01 -58.6 6.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.291 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.654 HG21 HD22 ' A' ' 66' ' ' LEU . 94.0 t -45.28 -60.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -39.64 -51.14 2.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -58.17 -44.68 88.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.342 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.9 tp -57.84 -63.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -50.6 -49.15 57.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.8 m120 -60.97 -60.01 4.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -45.43 -45.86 13.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.437 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 59.0 mmt-85 -61.22 -46.82 88.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 22.4 t80 -51.73 -45.5 63.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -49.12 -49.54 41.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -59.46 -27.42 66.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.762 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.75 -17.36 59.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.443 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -116.98 1.82 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.28 30.9 59.99 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.468 1.105 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.549 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -102.43 145.12 12.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.552 0.795 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.01 -39.19 19.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.006 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.549 ' O ' HG22 ' A' ' 26' ' ' ILE . 0.6 OUTLIER -84.39 162.05 52.34 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 137.92 22.36 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.529 1.805 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 54.4 t -124.71 165.93 20.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 24.1 mtmt -68.85 151.11 47.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.532 HG12 ' CD1' ' A' ' 34' ' ' TYR . 2.9 t -111.1 117.24 50.31 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.609 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -74.98 68.39 5.75 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.532 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.7 m-85 -36.96 -59.56 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -41.13 -57.11 2.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.478 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.8 mmtt -45.73 -45.68 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.431 ' HB3' HD23 ' A' ' 55' ' ' LEU . 32.6 m-85 -74.99 -24.54 58.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 111.055 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' SER . 95.1 mt -77.41 -57.85 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.167 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 70.2 mtm -68.51 -22.88 64.5 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 85' ' ' LEU . 18.6 m-70 -130.37 68.95 81.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.556 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -19.49 17.96 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.549 1.815 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.13 -32.71 24.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.479 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.3 mp0 -88.18 -50.67 6.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.4 mt -116.66 119.27 34.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.57 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.6 p90 -147.68 -178.55 6.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.726 HG23 HD22 ' A' ' 55' ' ' LEU . 39.7 t -124.38 146.63 29.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' A' ' 77' ' ' GLN . 3.0 m -131.01 143.26 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 108.6 -27.24 13.9 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.827 HD23 HD11 ' A' ' 76' ' ' ILE . 41.6 mt -40.59 154.06 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.97 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 178.81 6.76 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.471 1.774 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -75.02 142.33 43.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.38 29.68 75.28 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.551 1.157 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.97 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.4 mt -147.26 144.7 19.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 0.766 . . . . 0.0 109.258 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.411 ' C ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -138.09 -152.07 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 110.027 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 46' ' ' VAL . 36.9 tp -101.36 111.58 23.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.528 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.0 mtt85 -161.88 165.44 27.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.291 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -44.6 132.99 4.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.533 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.96 59.94 5.28 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.479 1.779 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -157.99 -44.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 97.1 m -58.45 -18.23 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 108.317 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.528 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 89.3 m-85 -85.23 174.23 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -105.18 154.54 17.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.557 1.161 . . . . 0.0 111.014 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -41.49 -61.24 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.492 0.76 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -44.54 -49.05 10.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 51.9 mttt -58.29 -62.82 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.654 HD22 HG21 ' A' ' 12' ' ' VAL . 81.7 mt -39.05 -52.45 1.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -52.72 -59.46 4.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.347 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.25 -64.19 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.753 HG23 HD11 ' A' ' 76' ' ' ILE . 97.2 mt -43.11 -54.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' ' 11' ' ' GLN . 78.4 mt -55.02 -39.47 69.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 68' ' ' LYS . 8.4 mt-10 -71.29 -19.86 62.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.14 29.07 8.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.677 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.32 -65.86 0.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -40.82 -47.65 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -51.9 64.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.827 HD11 HD23 ' A' ' 49' ' ' LEU . 6.5 mt -42.72 153.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.467 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.6 tt0 -170.32 130.52 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -91.12 97.76 11.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.57 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.9 t -82.78 130.34 35.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.762 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.9 mm -109.4 130.52 62.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.479 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -38.28 4.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 44' ' ' LEU . 25.3 mtt180 -143.33 95.86 5.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -15.31 20.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -60.5 -21.57 62.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 40' ' ' HIS . 80.7 mt -70.93 -46.13 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.609 HD22 ' HG2' ' A' ' 33' ' ' PRO . 55.0 mt -41.83 -50.24 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 57.7 p -86.1 -145.23 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 60.93 84.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 157.45 112.54 0.36 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.4 p -139.64 147.51 24.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.527 0.781 . . . . 0.0 109.287 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -127.31 169.42 13.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.095 . . . . 0.0 109.342 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.28 89.79 0.58 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.094 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -49.92 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.452 1.764 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 58.72 112.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.65 80.49 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.07 10.41 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 m -164.01 162.11 23.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.76 109.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.031 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 -179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -101.78 158.42 16.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 0.759 . . . . 0.0 109.98 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.43 148.66 26.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.14 -118.48 4.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -92.36 158.92 15.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.017 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.489 ' OG ' ' CZ ' ' A' ' 9' ' ' ARG . 93.9 p -74.79 75.4 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.975 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.69 -5.23 50.28 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.542 ' HB2' HD13 ' A' ' 66' ' ' LEU . 23.5 mt -62.51 -46.21 89.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 0.772 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.489 ' CZ ' ' OG ' ' A' ' 6' ' ' SER . 5.4 mtm-85 -38.12 -54.69 1.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 110.306 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -58.8 -47.56 84.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.476 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.8 mt-30 -58.14 -53.61 56.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.644 HG21 HD22 ' A' ' 66' ' ' LEU . 85.6 t -50.91 -56.29 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -42.59 -51.8 5.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 18' ' ' THR . 35.2 tp -57.46 -45.98 84.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.1 tp -55.78 -61.67 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -55.77 -55.24 34.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.0 m120 -54.07 -47.86 71.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.502 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 21.4 m -58.91 -54.43 47.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.439 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.1 mmt-85 -51.28 -45.54 62.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.595 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.9 t80 -51.83 -46.42 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.987 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.542 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.11 -49.28 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -58.75 -29.43 66.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.685 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.61 -14.52 60.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.452 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.8 pt -120.89 6.13 6.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.112 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 69.53 31.91 71.14 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.485 1.116 . . . . 0.0 111.035 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -104.86 144.94 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 93.8 p -85.39 -38.09 19.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.542 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.9 pt-20 -83.89 160.18 58.71 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.1 Cg_endo -75.03 134.05 17.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.537 1.809 . . . . 0.0 111.019 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.6 t -120.73 166.22 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 12.9 mtmt -67.18 151.63 47.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.544 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -114.03 115.91 45.26 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.602 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.0 68.85 5.69 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.487 1.782 . . . . 0.0 111.022 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.544 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.6 m-85 -36.85 -58.45 0.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.81 -56.07 2.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.016 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 16.0 mmtt -47.87 -42.17 26.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.8 m-85 -78.97 -23.01 44.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.9 mt -79.02 -56.92 4.02 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.12 -22.76 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.914 ' CG ' HD13 ' A' ' 85' ' ' LEU . 19.8 m-70 -129.99 69.07 81.62 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.601 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.46 19.56 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.8 -40.46 16.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 6.9 mp0 -81.67 -52.69 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.844 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.1 mt -112.39 119.52 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.0 p90 -151.2 -175.49 5.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.713 HG23 HD22 ' A' ' 55' ' ' LEU . 69.4 t -129.33 146.71 33.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 79' ' ' VAL . 12.6 m -126.52 149.49 31.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 104.4 -28.61 14.36 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.763 HD23 HD11 ' A' ' 76' ' ' ILE . 30.2 mt -40.28 153.47 0.21 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 0.754 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.949 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.5 Cg_endo -74.98 170.98 19.23 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.46 1.768 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.52 140.53 53.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.65 29.92 71.06 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.949 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -148.28 144.61 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.767 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.74 -155.16 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.713 HD22 HG23 ' A' ' 46' ' ' VAL . 29.5 tp -99.14 119.14 37.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.509 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.4 mtt180 -170.61 164.91 8.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -47.24 135.06 9.23 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.483 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.526 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 53.37 3.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.483 1.781 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 22.5 t30 -144.17 -46.77 0.26 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 19.0 t -59.66 -19.66 50.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 87.0 m-85 -84.58 169.78 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -107.66 155.99 16.05 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.22 -55.4 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 0.738 . . . . 0.0 109.25 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.53 -49.25 26.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.1 mttm -62.29 -60.59 3.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.644 HD22 HG21 ' A' ' 12' ' ' VAL . 82.2 mt -40.26 -51.39 2.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -55.26 -59.38 4.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.332 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.88 -63.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.881 HG23 HD11 ' A' ' 76' ' ' ILE . 59.4 mt -44.65 -55.38 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.476 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.6 mt -55.07 -35.6 64.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 68' ' ' LYS . 3.5 mt-10 -72.37 -26.48 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 110.287 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -107.77 28.49 8.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.696 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.23 -65.17 0.73 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.993 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -46.65 -35.05 5.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.7 m -73.68 -48.65 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.881 HD11 HG23 ' A' ' 69' ' ' ILE . 11.5 mt -46.34 155.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.437 ' HB3' HG23 ' A' ' 47' ' ' VAL . 28.4 tt0 -170.47 128.0 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -88.96 98.71 11.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 111.022 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 77.2 t -84.42 131.37 34.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.685 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.8 mm -110.56 130.71 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.499 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.06 -40.05 4.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.844 ' O ' HD21 ' A' ' 44' ' ' LEU . 20.0 mtt85 -141.79 95.6 6.98 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -15.47 20.87 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.472 1.775 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -57.98 -25.63 61.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.914 HD13 ' CG ' ' A' ' 40' ' ' HIS . 58.3 mt -68.5 -43.34 77.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.602 HD22 ' HG2' ' A' ' 33' ' ' PRO . 70.1 mt -45.25 -49.86 12.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 64.7 p -70.84 86.3 0.69 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.379 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -79.93 -57.46 3.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.76 -158.34 31.25 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.69 129.88 42.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.456 0.739 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.6 78.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -174.34 90.97 0.33 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 57.38 4.55 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 p -122.57 41.56 3.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.969 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -168.24 106.52 0.25 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -38.51 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.466 1.772 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.9 m -175.39 -62.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t -100.06 137.04 39.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 110.016 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.429 1.08 . . . . 0.0 110.998 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.815 ' N ' HH22 ' A' ' 9' ' ' ARG . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.0 79.88 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 0.748 . . . . 0.0 110.028 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.1 m 67.12 105.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.38 163.59 11.23 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.526 1.141 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 68.8 -73.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 0.778 . . . . 0.0 110.002 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.7 p -139.49 65.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.95 -18.06 10.89 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.599 ' HB2' HD13 ' A' ' 66' ' ' LEU . 15.3 mt -51.81 -47.09 64.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.815 HH22 ' N ' ' A' ' 1' ' ' GLY . 0.1 OUTLIER -38.79 -60.51 0.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.281 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -53.01 -47.21 68.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.633 ' HB2' HD11 ' A' ' 70' ' ' LEU . 7.3 mt-30 -57.99 -60.96 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.573 HG21 HD22 ' A' ' 66' ' ' LEU . 74.8 t -44.18 -50.99 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -46.06 -54.44 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' O ' ' CB ' ' A' ' 18' ' ' THR . 39.1 tp -54.74 -44.44 73.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.67 HD13 ' HB2' ' A' ' 73' ' ' SER . 37.8 tp -57.94 -65.01 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -53.32 -50.46 64.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.6 m120 -58.03 -47.18 83.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 20.0 m -60.62 -56.53 20.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.358 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH2' ' OG ' ' A' ' 73' ' ' SER . 42.5 mmt-85 -46.95 -47.6 21.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.346 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 19.3 t80 -50.81 -46.0 59.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.35 -49.26 24.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -59.08 -29.24 67.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.7 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.81 -14.02 60.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.8 pt -121.15 4.62 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 70.87 30.86 67.63 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 0.0 111.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.553 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -102.37 147.01 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.25 -34.96 18.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.024 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.578 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -88.8 162.95 37.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.332 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.38 21.57 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.473 1.775 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.553 HG21 HD12 ' A' ' 26' ' ' ILE . 55.8 t -124.01 165.81 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 8.3 mtmt -67.28 146.72 53.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.565 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -108.38 116.85 55.84 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.537 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.99 66.31 6.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.0 m-85 -36.32 -58.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.979 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 38' ' ' LEU . 2.2 p -41.0 -56.37 2.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.975 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' HB3' ' CD1' ' A' ' 44' ' ' LEU . 14.3 mmtt -47.38 -43.18 23.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.8 m-85 -78.12 -23.16 47.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' TYR . 69.4 mt -77.44 -58.71 3.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.1 mtm -67.91 -23.02 65.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.964 ' CG ' HD13 ' A' ' 85' ' ' LEU . 19.6 m-70 -129.98 69.19 81.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 109.563 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -19.19 18.05 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 -35.94 22.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.277 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 11.1 mp0 -84.39 -52.81 5.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.744 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.9 mt -113.23 118.81 35.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.469 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 34.6 p90 -149.14 -179.59 7.15 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.868 HG23 HD22 ' A' ' 55' ' ' LEU . 71.6 t -126.03 139.3 51.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG22 HG23 ' A' ' 79' ' ' VAL . 4.9 m -119.48 152.89 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.355 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.22 -25.86 26.7 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.743 HD23 HD11 ' A' ' 76' ' ' ILE . 21.1 mt -41.11 155.25 0.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 0.741 . . . . 0.0 109.318 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.97 -173.88 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.484 1.781 . . . . 0.0 111.034 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.92 140.54 33.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.58 29.68 75.17 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.5 142.45 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.84 -153.23 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.868 HD22 HG23 ' A' ' 46' ' ' VAL . 29.2 tp -101.41 116.56 33.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.497 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.0 mtt180 -169.9 163.39 9.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 mtp180 -41.58 132.55 2.24 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.327 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.527 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.04 57.13 4.49 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.464 1.77 . . . . 0.0 110.956 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -150.11 -46.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.7 t -57.45 -22.46 43.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 108.338 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.644 ' CE2' HG23 ' A' ' 53' ' ' ILE . 92.4 m-85 -80.48 164.52 22.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 111.028 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 65' ' ' LYS . . . -97.82 153.34 20.08 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.2 mp -40.33 -56.88 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 109.271 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.77 -45.01 49.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' GLY . 49.0 mttt -61.77 -62.15 2.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 8' ' ' LEU . 83.7 mt -39.51 -52.85 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 1.2 mtt-85 -51.64 -59.97 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.276 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -39.88 -62.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.811 HG23 HD11 ' A' ' 76' ' ' ILE . 85.4 mt -44.88 -55.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 11' ' ' GLN . 63.7 mt -55.04 -40.49 70.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.01 -20.88 63.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -112.44 28.42 8.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.67 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.2 -63.12 1.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 110.026 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -45.05 -34.51 2.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.25 -49.87 15.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.811 HD11 HG23 ' A' ' 69' ' ' ILE . 8.6 mt -44.65 155.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -170.39 126.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -86.35 99.09 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.516 HG23 HG22 ' A' ' 47' ' ' VAL . 71.6 t -85.67 130.94 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.7 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.2 mm -109.79 130.95 62.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.325 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.54 -41.85 3.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.744 ' O ' HD21 ' A' ' 44' ' ' LEU . 28.2 mtt180 -138.27 94.22 11.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -16.93 19.89 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.474 1.776 . . . . 0.0 110.955 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -57.59 -21.77 41.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.964 HD13 ' CG ' ' A' ' 40' ' ' HIS . 76.1 mt -71.37 -42.96 67.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.537 HD22 ' CG ' ' A' ' 33' ' ' PRO . 79.9 mt -42.35 -55.79 3.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 61.4 p -84.41 -144.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.423 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -179.89 -52.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.296 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.563 ' O ' HG12 ' A' ' 90' ' ' VAL . . . 148.4 -146.73 16.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.744 HG22 ' H ' ' A' ' 91' ' ' LYS . 2.3 p 45.32 -170.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.744 ' H ' HG22 ' A' ' 90' ' ' VAL . 29.6 tttt -158.65 112.11 2.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.465 1.103 . . . . 0.0 109.354 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 61.38 103.65 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.487 1.783 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.42 167.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -112.77 128.75 8.59 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.498 1.124 . . . . 0.0 110.945 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 179.03 6.5 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.3 t -126.39 -56.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 t 72.77 -61.09 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.456 1.098 . . . . 0.0 111.022 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -156.2 149.64 24.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.769 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -124.88 84.96 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.029 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.45 -177.95 54.13 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 7' ' ' GLY . 41.2 t -57.43 140.03 51.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 110.008 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 p -65.91 74.62 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 110.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -72.12 -3.52 56.83 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.554 1.159 . . . . 0.0 111.002 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HB2' HD13 ' A' ' 66' ' ' LEU . 25.0 mt -60.06 -41.83 93.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mtm105 -38.24 -60.72 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm -53.18 -51.73 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.334 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' HB2' HD11 ' A' ' 70' ' ' LEU . 11.5 mt-30 -50.54 -52.4 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.274 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.485 HG11 ' HB3' ' A' ' 58' ' ' PRO . 95.2 t -51.11 -52.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -45.32 -54.18 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.0 tp -55.2 -47.0 75.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.668 HD21 HD12 ' A' ' 76' ' ' ILE . 33.6 tp -55.05 -64.04 0.96 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -52.12 -57.26 10.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.162 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.4 m120 -53.02 -54.31 37.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.493 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 50.3 m -53.09 -46.04 68.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.429 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -58.62 -47.62 83.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.317 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.1 t80 -51.37 -45.2 62.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -48.73 -49.37 38.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -57.67 -29.92 65.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.629 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.33 -16.4 60.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.46 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 23.7 pt -119.8 10.36 6.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 65.07 32.09 82.97 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.499 1.124 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -104.72 142.73 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 0.766 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.31 -36.73 22.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.001 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.569 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 1.8 pt-20 -83.77 159.68 60.11 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.02 134.22 17.5 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.045 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 31' ' ' LYS . 54.5 t -121.18 166.11 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.6 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 13.4 mtmt -69.65 148.86 48.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.533 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.1 t -109.34 117.26 53.5 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.621 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.04 67.14 6.01 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.769 . . . . 0.0 111.02 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.533 ' CD1' HG12 ' A' ' 32' ' ' VAL . 18.8 m-85 -36.51 -57.44 0.76 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.0 -55.82 3.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.044 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 26.4 mmtm -48.5 -41.74 30.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' TYR . 32.8 m-85 -79.21 -22.6 44.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.8 mt -78.13 -57.67 3.66 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.7 mtm -68.56 -23.12 64.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.143 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.877 ' CG ' HD13 ' A' ' 85' ' ' LEU . 18.8 m-70 -130.2 68.84 81.6 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.628 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -21.91 15.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.18 -33.33 29.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 5.7 mp0 -86.72 -53.34 4.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.743 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.4 mt -112.3 118.01 34.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -148.24 -178.31 6.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.885 HG23 HD22 ' A' ' 55' ' ' LEU . 90.2 t -127.56 140.74 48.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.497 HG22 HG23 ' A' ' 79' ' ' VAL . 15.5 m -121.4 151.1 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.57 -27.73 18.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.644 HD23 HD11 ' A' ' 76' ' ' ILE . 22.7 mt -42.04 153.63 0.28 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.773 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.97 179.0 6.51 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.492 1.786 . . . . 0.0 111.052 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -76.84 145.92 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.435 1.084 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.58 29.91 76.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.55 1.157 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.0 mt -146.06 139.92 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 0.735 . . . . 0.0 109.275 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -127.05 -153.46 0.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.011 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.885 HD22 HG23 ' A' ' 46' ' ' VAL . 43.1 tp -105.56 107.94 19.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.489 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 11.3 mtt-85 -157.76 159.14 36.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.456 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -45.46 141.02 3.91 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.99 54.56 3.67 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -141.26 -45.99 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 t -82.43 53.12 2.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.292 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.512 ' HE2' HG23 ' A' ' 53' ' ' ILE . 51.6 m-85 -144.36 176.34 9.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -108.28 148.75 16.78 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.37 -58.31 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.09 -46.3 44.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -56.56 -62.29 1.83 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.477 HD13 ' HB2' ' A' ' 8' ' ' LEU . 70.8 mt -41.09 -51.01 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 71' ' ' GLU . 61.0 mtt-85 -58.69 -57.76 11.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -63.96 0.64 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.856 HG23 HD11 ' A' ' 76' ' ' ILE . 70.2 mt -45.46 -51.33 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.406 HD11 ' HB2' ' A' ' 11' ' ' GLN . 79.7 mt -58.16 -37.73 75.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' ARG . 6.2 mt-10 -72.87 -23.05 60.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.93 24.21 13.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.667 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -58.89 -67.9 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -43.77 -36.95 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.6 m -72.52 -46.91 52.41 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.034 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.856 HD11 HG23 ' A' ' 69' ' ' ILE . 11.6 mt -48.26 154.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.406 ' HB3' HG23 ' A' ' 47' ' ' VAL . 25.6 tt0 -170.36 129.88 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -91.22 96.69 10.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 111.04 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.1 t -81.71 130.48 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.629 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.5 mm -108.95 131.05 60.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.7 -40.1 3.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.743 ' O ' HD21 ' A' ' 44' ' ' LEU . 86.9 mtt180 -140.12 94.55 8.75 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -16.59 20.21 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.041 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -59.25 -23.58 62.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.877 HD13 ' CG ' ' A' ' 40' ' ' HIS . 78.5 mt -70.66 -42.54 70.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.138 . . . . 0.0 109.295 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.621 HD22 ' HG2' ' A' ' 33' ' ' PRO . 61.5 mt -47.26 -50.69 20.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 45.5 p -70.94 87.5 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.63 -52.98 2.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.137 . . . . 0.0 110.292 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.462 ' C ' HG12 ' A' ' 90' ' ' VAL . . . 152.53 -112.14 0.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.443 1.089 . . . . 0.0 111.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 90' ' ' VAL . 7.7 p 43.81 55.14 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.741 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -141.96 145.75 34.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -87.2 126.51 62.43 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.312 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 88.2 1.26 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.458 1.768 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.25 112.79 6.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -142.33 -85.0 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.51 1.131 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 101.33 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.493 1.786 . . . . 0.0 111.027 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.9 t -92.44 93.65 8.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.7 p 43.43 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.508 1.13 . . . . 0.0 111.058 -179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 69.01 148.42 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -111.84 122.97 49.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.996 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.28 86.99 1.39 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 111.022 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.98 144.92 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 0.752 . . . . 0.0 110.002 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p -47.6 -96.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.8 -5.3 53.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.566 ' HB2' HD13 ' A' ' 66' ' ' LEU . 40.7 mt -70.48 -40.97 73.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 10.6 mtm-85 -37.69 -55.72 1.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 mttp -57.27 -50.94 71.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.418 ' HB2' HD11 ' A' ' 70' ' ' LEU . 10.9 mt-30 -52.87 -52.18 58.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.1 . . . . 0.0 110.264 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.585 HG21 HD22 ' A' ' 66' ' ' LEU . 74.0 t -53.26 -53.15 25.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 109.275 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -44.35 -51.62 8.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 18' ' ' THR . 32.8 tp -57.86 -45.89 85.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.694 HD13 ' HB2' ' A' ' 73' ' ' SER . 30.1 tp -56.67 -63.01 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -53.15 -54.61 33.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.6 m120 -55.33 -54.83 38.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.487 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 36.1 m -51.37 -52.44 45.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.1 mmt180 -53.23 -49.16 67.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 20.8 t80 -49.76 -46.08 50.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.17 -50.21 21.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttt -58.58 -29.66 66.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.658 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.95 -13.98 60.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 21.5 pt -120.78 1.82 6.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 75.08 28.81 61.62 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.49 1.119 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -102.38 144.85 12.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 0.787 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -85.46 -37.25 19.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.567 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 7.5 pt-20 -84.84 162.31 50.34 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HG3' ' CD1' ' A' ' 14' ' ' LEU . 18.3 Cg_endo -75.01 136.89 20.97 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.535 1.808 . . . . 0.0 111.029 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.7 t -123.75 165.95 19.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.7 mtmt -67.29 149.46 50.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.564 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.2 t -112.75 116.04 48.18 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.613 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.5 Cg_endo -74.93 67.22 5.9 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.792 . . . . 0.0 111.056 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.564 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.8 m-85 -36.33 -56.91 0.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.8 p -43.08 -55.53 3.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.938 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 8.2 mmtt -48.69 -40.04 26.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.46 ' HB3' HD23 ' A' ' 55' ' ' LEU . 31.1 m-85 -81.13 -21.62 39.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 111.002 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.3 mt -80.38 -58.46 3.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 64.9 mtm -67.48 -23.29 65.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.884 ' CG ' HD13 ' A' ' 85' ' ' LEU . 15.6 m-70 -129.64 69.48 81.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 109.581 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -23.17 14.02 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.72 -33.31 35.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 3.4 mp0 -86.63 -54.56 4.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.735 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.6 mt -112.69 122.22 47.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.551 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 28.9 p90 -152.16 178.62 9.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.783 HG23 HD22 ' A' ' 55' ' ' LEU . 73.1 t -125.09 138.83 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.535 HG22 HG23 ' A' ' 79' ' ' VAL . 4.3 m -119.77 149.48 22.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.32 -19.63 42.25 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.493 1.121 . . . . 0.0 110.958 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.625 HD23 HD11 ' A' ' 76' ' ' ILE . 27.4 mt -48.64 153.83 1.32 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.988 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.96 178.43 7.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.464 1.771 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -75.79 139.64 41.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.285 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.17 29.86 72.0 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.988 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -147.22 141.68 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 0.749 . . . . 0.0 109.287 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.01 -150.82 0.41 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.783 HD22 HG23 ' A' ' 46' ' ' VAL . 31.6 tp -105.01 115.4 30.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' LEU . 9.2 mtt180 -167.17 163.06 15.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.287 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.39 132.95 2.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.286 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.536 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.0 55.51 3.97 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -147.27 -46.54 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 14.1 t -57.16 -23.55 48.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.309 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.593 ' CE2' HG23 ' A' ' 53' ' ' ILE . 92.5 m-85 -79.47 172.08 14.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 111.053 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -109.05 155.43 16.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' GLY . 0.9 OUTLIER -39.92 -56.53 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.62 -52.85 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.0 mttt -58.87 -58.88 6.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 12' ' ' VAL . 85.6 mt -40.02 -51.3 2.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 68' ' ' LYS . 3.0 mtp180 -55.42 -59.15 5.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -39.32 -63.03 0.59 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.7 HG23 HD11 ' A' ' 76' ' ' ILE . 71.8 mt -45.45 -54.05 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.477 HD12 HD22 ' A' ' 8' ' ' LEU . 84.0 mt -56.35 -37.52 70.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -71.62 -20.37 61.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.03 28.76 8.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.694 ' HB2' HD13 ' A' ' 15' ' ' LEU . 87.0 p -59.46 -51.71 68.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.007 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.79 -60.12 3.65 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.5 p -51.17 -46.38 62.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.97 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.7 HD11 HG23 ' A' ' 69' ' ' ILE . 5.6 mt -47.91 149.33 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -170.78 125.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -84.95 99.02 10.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.6 t -85.11 130.1 36.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.658 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.0 mm -109.26 130.81 61.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.58 -42.6 3.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.735 ' O ' HD21 ' A' ' 44' ' ' LEU . 61.8 mtt180 -138.55 94.76 10.38 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -16.49 20.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -56.15 -22.89 31.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.884 HD13 ' CG ' ' A' ' 40' ' ' HIS . 68.4 mt -72.48 -44.64 62.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.613 HD22 ' HG2' ' A' ' 33' ' ' PRO . 58.1 mt -46.25 -51.0 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.5 p -71.77 80.91 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.423 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -175.17 141.52 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.566 ' O ' HG12 ' A' ' 90' ' ' VAL . . . 142.45 105.09 0.54 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.479 1.112 . . . . 0.0 111.036 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.734 HG22 ' H ' ' A' ' 91' ' ' LYS . 2.2 p 45.44 -170.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.462 0.742 . . . . 0.0 109.301 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.734 ' H ' HG22 ' A' ' 90' ' ' VAL . 4.9 tmtm? -174.91 76.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -174.94 148.0 1.09 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.308 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 83.92 1.74 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.532 1.806 . . . . 0.0 110.96 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 39.9 m -77.18 105.89 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -147.86 81.39 0.2 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 139.91 24.84 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.45 120.79 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.046 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 21.8 p -122.0 128.91 51.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.966 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 -179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m 64.45 136.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 0.744 . . . . 0.0 109.936 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -70.61 155.41 40.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.992 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.98 87.23 1.13 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.47 1.106 . . . . 0.0 110.999 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.97 -58.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 0.767 . . . . 0.0 109.963 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 p -153.43 70.59 0.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.33 -6.74 49.41 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.499 1.124 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 24.8 mt -60.7 -46.08 91.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.7 mtm105 -38.3 -58.9 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.41 -47.12 73.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.601 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.4 mt-30 -58.5 -54.63 44.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.558 HG21 HD22 ' A' ' 66' ' ' LEU . 96.9 t -50.35 -55.03 6.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -42.76 -52.87 4.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 18' ' ' THR . 36.5 tp -56.12 -46.16 79.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.724 HD13 ' HB2' ' A' ' 73' ' ' SER . 36.2 tp -57.06 -68.84 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -45.69 -54.6 7.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 2.7 m120 -57.03 -60.65 3.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.28 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 30.3 m -44.24 -49.23 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -56.77 -49.7 74.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.28 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 21.6 t80 -49.58 -46.69 49.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.148 . . . . 0.0 111.014 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.84 -50.25 26.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -58.6 -29.47 66.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.746 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.71 -16.26 61.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.442 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.9 pt -118.35 2.22 7.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.14 30.31 61.17 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.538 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.8 mt -103.26 143.17 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 0.758 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -83.58 -36.79 23.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 110.059 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.6 pt-20 -84.39 159.71 58.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.42 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.04 134.99 18.42 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.2 t -122.16 166.05 17.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 21.4 mtmt -68.99 153.13 44.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.0 t -113.69 116.54 45.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.628 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.2 Cg_endo -75.05 71.65 4.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.5 ' CD1' HG12 ' A' ' 32' ' ' VAL . 21.1 m-85 -38.56 -59.38 0.92 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.959 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -40.91 -55.81 2.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.982 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.489 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 71.0 mmtt -48.31 -42.03 29.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 30.4 m-85 -79.44 -22.28 44.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 110.983 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.0 mt -79.09 -57.86 3.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.3 mtm -67.99 -22.6 64.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.809 ' CG ' HD13 ' A' ' 85' ' ' LEU . 21.7 m-70 -129.89 69.15 81.56 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.581 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.1 18.24 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.52 -34.21 23.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 4.1 mp0 -86.67 -54.92 4.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD21 ' O ' ' A' ' 82' ' ' ARG . 1.6 mt -112.11 118.26 34.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.4 p90 -148.51 -178.82 6.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 111.036 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.685 HG23 HD22 ' A' ' 55' ' ' LEU . 48.5 t -123.35 148.35 27.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.9 m -133.94 143.54 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.02 -13.92 40.79 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.515 1.134 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.81 HD23 HD11 ' A' ' 76' ' ' ILE . 28.7 mt -53.37 155.53 4.97 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 0.74 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -172.38 1.23 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.481 1.779 . . . . 0.0 111.027 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.37 143.04 30.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.45 30.46 77.92 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.453 1.095 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.5 mt -145.35 142.97 22.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.29 -155.21 0.63 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.98 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.685 HD22 HG23 ' A' ' 46' ' ' VAL . 45.5 tp -100.92 110.45 22.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 10.8 mtt85 -159.66 170.23 22.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.8 OUTLIER -47.97 132.82 11.86 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.262 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.518 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 53.33 3.32 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 60' ' ' CYS . 5.9 p30 -154.04 -44.38 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.468 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 8.0 t -58.17 -20.79 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 108.294 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 70.2 m-85 -81.35 -179.14 7.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -111.14 153.41 17.2 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 mp -42.22 -58.36 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.483 0.755 . . . . 0.0 109.323 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.0 -51.15 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 66' ' ' LEU . 52.9 mttt -59.97 -59.75 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.558 HD22 HG21 ' A' ' 12' ' ' VAL . 85.6 mt -39.42 -48.44 1.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -57.49 -59.04 5.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 110.335 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -40.85 -63.13 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.674 HG23 HD11 ' A' ' 76' ' ' ILE . 96.1 mt -42.49 -57.85 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.601 HD11 ' HB2' ' A' ' 11' ' ' GLN . 71.1 mt -52.85 -41.0 63.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -68.81 -21.62 64.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.77 31.25 6.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.724 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.63 -66.56 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 76.2 m-80 -42.1 -44.59 3.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 46.8 m -65.43 -45.77 82.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.81 HD11 HD23 ' A' ' 49' ' ' LEU . 4.9 mt -49.45 154.04 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.47 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.8 tt0 -170.62 126.99 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.343 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE2' HG21 ' A' ' 32' ' ' VAL . 7.0 m-85 -88.26 98.32 11.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 72.0 t -83.81 130.78 35.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.319 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.746 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 8.9 mm -109.65 130.87 61.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.47 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -113.28 -38.72 4.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.724 ' O ' HD21 ' A' ' 44' ' ' LEU . 25.5 mtp180 -142.09 95.18 6.87 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -15.98 20.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.491 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -60.76 -23.38 64.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.288 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.809 HD13 ' CG ' ' A' ' 40' ' ' HIS . 71.4 mt -69.68 -44.49 70.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.628 HD22 ' HG2' ' A' ' 33' ' ' PRO . 65.8 mt -42.77 -53.71 4.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.621 ' O ' HG23 ' A' ' 87' ' ' THR . 10.1 t -100.64 94.7 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.391 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -162.32 82.82 0.55 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 167.52 -162.3 36.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.8 p -166.5 133.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 0.768 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -161.42 137.45 8.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -179.65 85.09 0.2 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 59.38 5.16 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.0 t -124.2 166.49 15.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.965 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 159.59 96.51 0.11 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 72.66 4.59 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 m -147.16 116.53 7.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.1 t -124.3 -58.58 1.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.034 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -64.9 125.71 25.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.0 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.988 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.41 80.26 0.48 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.1 p -109.76 -62.31 1.52 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 0.764 . . . . 0.0 110.026 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 p -48.94 -97.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.972 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.26 -5.24 55.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.102 . . . . 0.0 111.016 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.551 HD22 HD12 ' A' ' 70' ' ' LEU . 36.4 mt -71.44 -41.44 69.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.751 . . . . 0.0 109.305 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -38.77 -59.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -52.99 -47.11 68.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.2 mt-30 -58.52 -54.92 41.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 0.0 110.344 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 HD22 ' A' ' 66' ' ' LEU . 85.7 t -51.02 -61.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' VAL . 3.1 mt-10 -38.55 -49.78 1.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.5 ' O ' ' CB ' ' A' ' 18' ' ' THR . 31.2 tp -60.75 -47.17 87.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.645 HD21 HD12 ' A' ' 76' ' ' ILE . 36.1 tp -54.62 -59.33 4.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -58.83 -56.36 23.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.132 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.0 m120 -52.51 -44.64 65.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.5 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.2 m -62.88 -59.09 5.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.374 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -47.01 -45.17 20.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.593 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 25.0 t80 -52.0 -46.49 64.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.536 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.99 -49.64 20.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -59.04 -29.98 67.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.689 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -72.97 -15.84 61.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.45 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.4 pt -118.21 -0.26 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 76.6 29.0 58.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.575 1.172 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.586 HD12 HG21 ' A' ' 30' ' ' VAL . 1.8 mt -100.89 148.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 0.791 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -87.54 -39.34 15.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.959 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.536 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.3 pt-20 -85.92 164.46 39.19 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 139.0 23.72 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.476 1.777 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.586 HG21 HD12 ' A' ' 26' ' ' ILE . 55.3 t -125.17 166.08 21.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.593 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 25.4 mtmt -67.93 143.87 55.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.62 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -104.26 114.58 64.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.4 Cg_endo -75.01 66.68 6.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.62 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.5 m-85 -36.84 -58.62 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 110.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.9 m -41.35 -55.88 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.493 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 69.8 mmtt -47.88 -42.59 27.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.421 ' N ' ' O ' ' A' ' 34' ' ' TYR . 35.3 m-85 -78.5 -22.55 47.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 34' ' ' TYR . 96.4 mt -78.01 -56.75 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.7 mtm -69.16 -22.89 63.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.89 ' CG ' HD13 ' A' ' 85' ' ' LEU . 20.0 m-70 -130.17 68.39 81.0 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.633 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.19 15.07 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.431 1.753 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.43 -36.93 28.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 5.6 mp0 -84.04 -52.19 6.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.269 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.4 mt -112.42 121.28 44.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 35.4 p90 -152.37 -177.68 6.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 111.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.769 HG23 HD22 ' A' ' 55' ' ' LEU . 74.2 t -128.09 143.6 40.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.503 HG22 HG23 ' A' ' 79' ' ' VAL . 15.3 m -123.52 151.11 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.35 -25.3 27.47 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.486 1.116 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.714 HD23 HD11 ' A' ' 76' ' ' ILE . 23.2 mt -42.09 155.77 0.24 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.494 0.761 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.957 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.04 -170.26 0.76 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.801 . . . . 0.0 110.934 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.58 141.42 30.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.61 29.74 76.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.957 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.5 mt -144.36 141.16 24.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.59 -149.78 0.37 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.147 . . . . 0.0 110.029 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.769 HD22 HG23 ' A' ' 46' ' ' VAL . 28.3 tp -104.33 109.98 22.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 8.7 mtt180 -158.89 166.09 32.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' HB3' ' ND2' ' A' ' 59' ' ' ASN . 0.0 OUTLIER -45.32 132.83 5.86 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.282 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.53 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.0 Cg_endo -75.08 52.96 3.23 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.957 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 59' ' ' ASN . 0.1 OUTLIER -151.54 -45.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.299 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.67 -19.71 17.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 108.342 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 56' ' ' ARG . 77.0 m-85 -84.0 179.45 7.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -114.85 154.76 16.78 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.449 1.093 . . . . 0.0 111.025 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.67 -55.11 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 0.748 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.44 -52.28 17.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 66' ' ' LEU . 2.8 mttp -60.76 -59.56 5.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 12' ' ' VAL . 86.9 mt -39.76 -50.03 2.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -55.87 -59.27 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -40.34 -63.02 0.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.744 HG23 HD11 ' A' ' 76' ' ' ILE . 87.6 mt -40.96 -60.26 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.551 HD12 HD22 ' A' ' 8' ' ' LEU . 87.7 mt -51.77 -46.12 64.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.32 -22.42 66.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.68 25.21 12.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.643 ' HB2' HD13 ' A' ' 15' ' ' LEU . 84.8 p -60.14 -67.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -42.11 -41.97 2.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.247 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -68.91 -53.59 20.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.479 1.112 . . . . 0.0 109.955 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.744 HD11 HG23 ' A' ' 69' ' ' ILE . 6.4 mt -40.62 152.18 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 25.5 tt0 -170.25 126.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 110.342 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -86.22 100.4 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -86.93 130.92 36.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.263 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.689 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 7.8 mm -109.99 130.76 62.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.14 -41.32 3.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.721 ' O ' HD21 ' A' ' 44' ' ' LEU . 30.5 mtt85 -139.73 95.0 8.97 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -15.97 20.45 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.458 1.767 . . . . 0.0 110.977 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' O ' HG23 ' A' ' 87' ' ' THR . 6.8 pt-20 -59.41 -21.32 59.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 110.233 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.89 HD13 ' CG ' ' A' ' 40' ' ' HIS . 78.6 mt -73.54 -44.63 57.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.566 HD22 ' HG2' ' A' ' 33' ' ' PRO . 71.3 mt -43.82 -82.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 84' ' ' GLU . 34.5 p 40.32 72.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -147.89 135.83 21.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.98 124.47 0.72 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.44 1.087 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.7 p -163.68 160.8 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -173.51 139.08 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -169.1 111.8 0.51 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.323 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 159.5 41.4 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.499 1.789 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.17 146.42 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 131.5 80.1 0.19 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.52 1.137 . . . . 0.0 111.005 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 65.4 6.08 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.509 1.794 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -82.08 126.05 31.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -116.6 124.69 50.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -61.44 145.31 52.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 0.732 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.58 168.74 10.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.044 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 38.78 65.82 0.72 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.52 164.16 19.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 p -84.98 74.92 10.45 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.995 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.28 -1.52 57.25 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.49 1.119 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 21.8 mt -61.8 -47.62 84.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 0.761 . . . . 0.0 109.264 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.497 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 0.3 OUTLIER -40.54 -56.33 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -56.17 -45.06 79.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -60.87 -53.16 60.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 93.0 t -48.93 -56.89 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -43.0 -56.47 3.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.534 1.146 . . . . 0.0 110.268 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' O ' ' CB ' ' A' ' 18' ' ' THR . 30.8 tp -54.35 -47.94 72.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' A' ' 73' ' ' SER . 38.3 tp -53.17 -63.29 1.19 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.11 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -54.95 -58.59 7.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.983 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.421 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 5.0 m120 -50.15 -48.04 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.255 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 40.3 m -60.33 -53.47 57.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.41 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.465 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 6.7 mmt180 -51.44 -46.48 63.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.59 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -51.55 -47.5 63.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -46.33 -49.57 17.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.295 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -58.12 -32.3 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.666 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -71.38 -12.49 61.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.457 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 18.6 pt -122.67 2.07 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 74.09 29.69 62.22 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.56 1.162 . . . . 0.0 110.944 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.532 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.0 mt -103.46 143.57 15.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.526 0.78 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.42 -37.94 20.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.9 pt-20 -83.15 159.64 61.92 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.5 17.89 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.54 1.811 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.5 t -121.24 166.05 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.59 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 15.5 mttt -67.57 147.64 52.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.589 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.3 t -107.71 115.7 58.65 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.53 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.0 67.05 5.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 111.014 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.589 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.8 m-85 -37.48 -60.58 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -40.13 -56.62 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.113 . . . . 0.0 110.012 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 75.1 mmtt -46.86 -44.03 19.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.571 ' HB3' HD23 ' A' ' 55' ' ' LEU . 37.1 m-85 -77.24 -23.65 51.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' TYR . 93.9 mt -77.77 -56.23 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.5 mtm -68.52 -23.02 64.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.014 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.71 ' CG ' HD13 ' A' ' 85' ' ' LEU . 40.3 m-70 -130.03 68.81 81.39 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.635 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -15.52 20.66 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.489 1.784 . . . . 0.0 110.999 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.56 -37.93 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 1.8 mp0 -84.12 -53.01 5.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.308 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.7 mt -112.31 117.43 32.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.549 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 32.7 p90 -148.13 179.91 7.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.707 HG21 HD13 ' A' ' 55' ' ' LEU . 70.2 t -126.31 139.65 51.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 77' ' ' GLN . 18.3 m -120.46 153.06 23.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 49' ' ' LEU . . . 101.49 -27.27 21.26 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.451 1.094 . . . . 0.0 110.988 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD23 HD11 ' A' ' 76' ' ' ILE . 26.3 mt -40.38 155.53 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.955 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.01 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -84.9 138.21 32.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.473 1.108 . . . . 0.0 110.288 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.07 29.68 70.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.955 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.4 mt -144.52 139.51 23.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 0.756 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.6 -151.88 0.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.018 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.707 HD13 HG21 ' A' ' 46' ' ' VAL . 37.8 tp -101.97 90.55 4.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.483 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 1.9 mtt180 -135.31 161.47 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.05 145.9 31.89 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.243 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.497 ' O ' ' CD ' ' A' ' 9' ' ' ARG . 18.3 Cg_endo -75.0 54.49 3.66 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.48 1.779 . . . . 0.0 111.033 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -150.58 -46.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.67 52.6 2.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.13 . . . . 0.0 108.247 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.483 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 1.1 m-85 -139.06 -86.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 141.21 151.42 5.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -40.32 -63.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 0.776 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -40.29 -60.58 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 66' ' ' LEU . 16.8 mttt -55.54 -59.86 4.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.434 ' HB3' ' CB ' ' A' ' 8' ' ' LEU . 78.4 mt -39.35 -50.71 2.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 68' ' ' LYS . 2.6 mtt-85 -59.28 -57.36 13.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.312 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 69' ' ' ILE . 0.1 OUTLIER -39.85 -68.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.618 HG23 ' CD1' ' A' ' 76' ' ' ILE . 18.2 mt -39.15 -56.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 89.0 mt -53.41 -48.05 69.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -61.4 -18.84 60.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.46 20.74 15.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.641 ' HB2' HD13 ' A' ' 15' ' ' LEU . 32.8 p -55.23 -47.06 75.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 110.017 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -60.5 -50.83 71.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.347 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 65.4 m -60.49 -46.91 88.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.618 ' CD1' HG23 ' A' ' 69' ' ' ILE . 7.5 mt -45.09 150.27 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 47' ' ' VAL . 28.6 tt0 -170.51 125.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 5.5 m-85 -87.77 100.65 13.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 70.4 t -87.45 131.12 36.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.666 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 6.6 mm -109.42 131.01 61.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -114.84 -37.55 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.777 ' O ' HD21 ' A' ' 44' ' ' LEU . 10.4 mtt180 -143.73 95.04 5.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -15.24 20.97 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -60.31 -23.37 64.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 110.307 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.71 HD13 ' CG ' ' A' ' 40' ' ' HIS . 35.2 mt -69.75 -46.12 66.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.606 HD21 HD13 ' A' ' 44' ' ' LEU . 46.5 mt -43.6 -34.69 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 15.2 p -95.22 -140.49 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.453 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 51.53 61.21 3.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.725 ' O ' HG12 ' A' ' 90' ' ' VAL . . . 109.34 -170.7 14.63 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 89' ' ' GLY . 0.3 OUTLIER 86.69 155.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 0.739 . . . . 0.0 109.332 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -147.5 152.29 37.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 92' ' ' GLU . 12.1 pt-20 -81.74 114.29 49.02 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 163.37 35.36 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.56 1.821 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.96 129.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 144.11 -179.92 21.08 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 157.21 42.94 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.448 1.762 . . . . 0.0 110.962 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.12 111.25 2.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.8 m 55.71 169.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.962 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.511 1.132 . . . . 0.0 111.003 179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.1 p -75.4 118.49 18.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 0.772 . . . . 0.0 110.038 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.8 p -68.33 -60.52 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.999 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.67 170.18 45.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 p -72.06 139.8 48.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 0.791 . . . . 0.0 110.036 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.5 t 52.4 74.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.32 -4.94 52.93 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.518 ' HB2' HD13 ' A' ' 66' ' ' LEU . 34.4 mt -57.02 -46.37 82.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 0.757 . . . . 0.0 109.297 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 50.8 mtm-85 -38.76 -57.95 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.408 1.068 . . . . 0.0 110.261 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -54.64 -42.27 71.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.374 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 8' ' ' LEU . 9.4 mt-30 -64.18 -59.58 4.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 110.304 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 66' ' ' LEU . 85.0 t -44.3 -57.94 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -41.19 -54.2 2.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 41.4 tp -56.03 -45.87 79.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.643 HD13 ' HB2' ' A' ' 73' ' ' SER . 32.0 tp -56.79 -69.38 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.0 m-30 -44.43 -47.79 9.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.992 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 30' ' ' VAL . 4.0 m120 -62.69 -65.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 17.1 m -39.5 -40.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.357 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mmt-85 -65.99 -49.95 65.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 29.7 t80 -49.72 -47.19 50.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' GLU . . . -47.54 -49.82 25.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.6 tttp -58.92 -28.5 66.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.764 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -75.0 -19.54 60.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.469 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 20.6 pt -114.69 8.82 7.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.097 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.56 32.86 82.83 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.556 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -102.77 145.71 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 0.789 . . . . 0.0 109.264 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.51 -37.78 19.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' HG22 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -85.73 161.41 50.7 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.294 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.2 Cg_endo -75.02 137.94 22.35 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.434 1.755 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 17' ' ' ASN . 70.9 t -127.69 164.14 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 3.2 mmmt -61.23 -175.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG12 ' CD1' ' A' ' 34' ' ' TYR . 20.0 t -142.9 117.08 6.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.15 . . . . 0.0 109.316 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.637 ' CG ' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.01 67.06 6.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.443 1.759 . . . . 0.0 110.981 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.445 ' CD1' HG12 ' A' ' 32' ' ' VAL . 22.0 m-85 -36.89 -58.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -41.07 -55.55 2.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.997 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.475 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 17.3 mmtt -48.65 -42.05 33.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' N ' ' O ' ' A' ' 34' ' ' TYR . 34.3 m-85 -79.1 -22.21 45.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -79.37 -56.69 4.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.0 mtm -69.08 -22.37 64.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.808 ' CG ' HD13 ' A' ' 85' ' ' LEU . 33.9 m-70 -130.6 68.73 81.87 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.609 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -11.76 21.49 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.491 1.785 . . . . 0.0 111.029 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.18 -46.66 9.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 110.27 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.536 ' CD ' HD11 ' A' ' 85' ' ' LEU . 1.5 mt-10 -78.05 -51.62 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 110.314 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.824 HD21 ' O ' ' A' ' 82' ' ' ARG . 2.0 mt -111.41 116.15 30.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.536 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 30.7 p90 -147.66 179.41 7.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 0.0 111.034 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.726 HG23 HD22 ' A' ' 55' ' ' LEU . 24.3 t -123.33 146.2 29.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 77' ' ' GLN . 2.9 m -129.47 151.56 35.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.59 -26.3 25.1 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.514 1.134 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.681 HD23 HD11 ' A' ' 76' ' ' ILE . 33.2 mt -41.08 153.61 0.23 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.982 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -178.22 4.01 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -78.78 139.0 38.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.19 29.79 71.98 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.467 1.104 . . . . 0.0 111.027 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.982 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.9 mt -146.77 142.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 0.754 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.59 -151.18 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 109.953 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.726 HD22 HG23 ' A' ' 46' ' ' VAL . 32.8 tp -102.36 111.23 23.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.555 ' HB2' ' CE2' ' A' ' 61' ' ' PHE . 15.5 mtt180 -159.72 168.49 25.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.306 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -52.95 135.37 47.81 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.511 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.01 55.55 3.99 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.0 t30 -144.69 -47.21 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 39.3 t -59.68 -32.83 70.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 108.317 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.624 ' CE1' HG23 ' A' ' 53' ' ' ILE . 86.7 m-85 -68.45 160.66 29.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -100.43 156.26 19.45 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -39.76 -57.22 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.533 0.784 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -48.36 -49.85 32.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 13.0 mttt -61.21 -58.37 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 12' ' ' VAL . 88.4 mt -40.03 -52.71 2.47 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -53.81 -56.17 19.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -62.5 0.77 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.546 HG22 HD23 ' A' ' 15' ' ' LEU . 47.7 mt -42.92 -58.41 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -51.75 -46.44 64.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.155 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -62.63 -22.05 66.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.435 1.084 . . . . 0.0 110.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.28 27.97 8.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.643 ' HB2' HD13 ' A' ' 15' ' ' LEU . 88.5 p -66.91 -67.77 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.3 m-20 -45.02 -34.15 2.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -78.31 -43.93 26.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.681 HD11 HD23 ' A' ' 49' ' ' LEU . 2.9 mt -49.49 153.74 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' HB3' HG23 ' A' ' 47' ' ' VAL . 16.8 tt0 -170.44 125.61 0.74 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -87.28 98.06 11.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.536 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 69.0 t -83.1 131.72 33.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.764 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.5 mm -111.92 130.69 65.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -112.98 -43.48 3.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.824 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.9 mtp85 -137.24 94.75 12.13 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.334 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -15.64 20.65 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.16 -26.62 64.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.808 HD13 ' CG ' ' A' ' 40' ' ' HIS . 45.2 mt -66.81 -43.32 84.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.637 HD22 ' CG ' ' A' ' 33' ' ' PRO . 69.6 mt -43.93 -54.9 4.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 24.6 p -68.13 86.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.443 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -161.09 68.36 0.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -133.62 138.61 10.23 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 27.1 t -91.91 136.76 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.766 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 49.72 -171.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -166.37 76.8 1.15 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.301 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 167.74 26.39 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.488 1.783 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.05 145.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.67 151.39 19.97 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 155.01 43.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 111.043 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.8 t -146.14 111.16 5.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 22.5 t 52.81 87.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.012 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.21 135.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.964 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t 69.28 152.48 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.477 1.11 . . . . 0.0 109.974 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.71 -112.02 2.48 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.549 1.156 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.8 m 63.24 -176.88 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 0.777 . . . . 0.0 110.029 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.2 p -52.62 -98.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.971 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.29 -7.85 50.25 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.521 1.138 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' HB2' HD13 ' A' ' 66' ' ' LEU . 37.5 mt -67.42 -41.42 84.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 0.732 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 8' ' ' LEU . 3.9 mtm-85 -38.03 -62.82 0.53 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -49.8 -44.32 49.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HB2' HD11 ' A' ' 70' ' ' LEU . 8.3 mt-30 -62.13 -54.2 44.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.275 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.564 HG21 HD22 ' A' ' 66' ' ' LEU . 95.4 t -52.45 -49.23 44.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.29 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -48.46 -53.67 17.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 18' ' ' THR . 33.2 tp -55.38 -46.48 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 73' ' ' SER . 33.8 tp -54.79 -63.47 1.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -56.06 -55.62 30.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.9 m120 -52.13 -46.95 65.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 24.8 m -61.67 -60.3 3.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.461 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 9.4 mmt180 -42.33 -48.95 5.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CE2' ' O ' ' A' ' 31' ' ' LYS . 21.9 t80 -50.12 -46.69 54.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -47.03 -50.77 18.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.4 tttm -58.49 -28.99 65.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.672 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.3 -17.14 60.89 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 22.1 pt -117.4 3.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 73.43 30.59 62.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.494 1.121 . . . . 0.0 110.984 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.557 HD12 HG21 ' A' ' 30' ' ' VAL . 1.9 mt -102.99 147.5 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 0.748 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -86.36 -38.96 16.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 4.9 pt-20 -85.99 164.07 40.61 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.518 1.136 . . . . 0.0 110.305 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.4 Cg_endo -75.0 139.82 24.73 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.521 1.8 . . . . 0.0 111.032 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.557 HG21 HD12 ' A' ' 26' ' ' ILE . 56.0 t -126.61 165.85 24.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CE2' ' A' ' 20' ' ' TYR . 27.4 mtmt -69.41 144.8 53.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.476 HG12 ' CD1' ' A' ' 34' ' ' TYR . 4.1 t -105.68 117.72 57.21 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.617 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -75.03 65.19 6.09 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.765 . . . . 0.0 110.979 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CD1' HG12 ' A' ' 32' ' ' VAL . 17.2 m-85 -35.28 -56.26 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -55.12 3.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.015 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.492 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 11.9 mmtt -49.36 -41.11 38.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.362 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.475 ' CD2' ' CD2' ' A' ' 55' ' ' LEU . 34.1 m-85 -79.36 -21.97 45.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.979 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 34' ' ' TYR . 95.4 mt -79.48 -57.06 3.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 67.3 mtm -69.2 -23.03 63.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.872 ' CG ' HD13 ' A' ' 85' ' ' LEU . 11.0 m-70 -130.86 68.59 81.97 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.62 14.7 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.473 1.775 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.32 -32.22 33.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.0 mp0 -87.96 -51.88 5.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 110.297 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.713 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.0 mt -113.24 120.81 42.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.573 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 41.4 p90 -150.92 -177.86 6.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.934 HG23 HD22 ' A' ' 55' ' ' LEU . 89.1 t -130.08 140.51 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.529 HG22 HG23 ' A' ' 79' ' ' VAL . 15.8 m -120.19 152.67 23.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.11 -24.18 32.06 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.481 1.113 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.543 HD23 HD11 ' A' ' 76' ' ' ILE . 25.8 mt -42.41 155.47 0.25 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.965 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.94 -176.08 2.68 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.473 1.775 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -79.9 137.29 36.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.69 32.23 74.19 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.965 HD12 ' HG2' ' A' ' 50' ' ' PRO . 12.0 mt -147.96 139.51 17.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.471 0.748 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.73 -151.62 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.934 HD22 HG23 ' A' ' 46' ' ' VAL . 22.4 tp -99.61 112.87 25.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 15.8 mtt85 -163.11 170.53 17.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 142.33 84.98 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.511 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.95 1.61 7.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -100.53 10.25 41.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -128.55 13.31 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 44.4 m-85 -121.78 136.35 54.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.6 162.24 50.48 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.492 1.12 . . . . 0.0 111.012 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -49.64 -56.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.771 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.69 -48.68 15.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -61.84 -59.66 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.564 HD22 HG21 ' A' ' 12' ' ' VAL . 81.9 mt -41.31 -51.97 3.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 71' ' ' GLU . 11.6 mtp180 -55.47 -59.46 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -40.52 -64.44 0.52 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.254 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.842 HG23 HD11 ' A' ' 76' ' ' ILE . 35.2 mt -44.88 -51.62 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 11' ' ' GLN . 65.0 mt -58.56 -35.62 72.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 68' ' ' LYS . 5.0 mt-10 -73.7 -22.45 59.91 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.447 1.092 . . . . 0.0 110.284 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -109.32 26.74 10.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.713 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -59.61 -61.17 2.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -49.43 -42.13 41.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.6 m -66.94 -47.89 70.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.842 HD11 HG23 ' A' ' 69' ' ' ILE . 8.4 mt -46.75 153.74 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 47' ' ' VAL . 24.9 tt0 -170.46 126.05 0.75 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 19' ' ' ARG . 4.7 m-85 -87.15 97.88 10.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.573 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 76.7 t -83.19 131.51 33.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.672 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.2 mm -111.38 130.34 65.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.497 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -113.59 -42.6 3.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.713 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.9 mtp85 -136.57 94.23 13.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -14.96 21.03 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.526 1.803 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.64 -21.64 65.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.872 HD13 ' CG ' ' A' ' 40' ' ' HIS . 95.7 mt -70.62 -44.01 68.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.617 HD22 ' HG2' ' A' ' 33' ' ' PRO . 64.5 mt -43.83 -63.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.537 ' O ' HG23 ' A' ' 87' ' ' THR . 4.8 t -81.33 88.87 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.399 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -149.99 70.27 1.04 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 175.43 138.09 2.7 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.504 1.127 . . . . 0.0 110.984 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 98.9 t -110.44 109.55 28.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.431 0.724 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -110.46 94.16 4.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.566 1.167 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -119.09 88.79 37.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 72.38 4.66 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.458 1.768 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 34.3 t -169.27 109.07 0.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.004 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 59.93 -167.25 9.2 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.493 1.121 . . . . 0.0 111.04 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 153.34 41.93 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.5 m -55.16 134.1 49.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.987 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.8 p -178.17 161.95 1.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.958 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.138 . . . . 0.0 110.981 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 m -169.65 -58.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 0.743 . . . . 0.0 110.051 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.64 118.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.99 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.99 179.6 21.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 m 58.74 161.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 0.759 . . . . 0.0 109.983 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.436 ' OG ' ' NH1' ' A' ' 9' ' ' ARG . 53.6 p -74.4 74.11 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.977 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -75.1 -0.99 62.19 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' CB ' ' HB3' ' A' ' 66' ' ' LEU . 25.0 mt -60.04 -43.78 95.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.46 ' CD ' ' O ' ' A' ' 58' ' ' PRO . 66.5 mtm-85 -38.06 -60.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.339 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -52.99 -48.82 67.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -54.94 -54.35 43.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG11 ' HB3' ' A' ' 58' ' ' PRO . 86.4 t -48.99 -53.06 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -45.29 -54.97 6.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 18' ' ' THR . 38.0 tp -54.87 -45.97 74.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.673 HD13 ' HB2' ' A' ' 73' ' ' SER . 38.4 tp -55.86 -64.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -53.79 -55.21 28.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 3.7 m120 -53.56 -50.59 65.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 27.9 m -57.25 -52.24 66.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.449 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -51.37 -48.4 62.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 23.4 t80 -50.48 -44.51 55.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 110.979 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -50.08 -49.86 49.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 42.7 tttt -57.77 -29.29 64.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.688 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -74.23 -19.88 60.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.467 HD11 HG21 ' A' ' 30' ' ' VAL . 22.1 pt -115.31 8.3 7.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.29 31.75 78.0 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.522 HG22 ' O ' ' A' ' 28' ' ' GLU . 2.1 mt -103.48 145.25 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.22 -38.41 18.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.996 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.549 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -84.58 161.9 52.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.01 136.72 20.76 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.513 1.796 . . . . 0.0 110.958 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.516 HG21 HD12 ' A' ' 26' ' ' ILE . 55.5 t -123.56 165.89 19.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.602 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 10.2 mtmm -68.29 147.67 51.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.511 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.6 t -107.77 117.47 55.37 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.519 ' HD3' ' CZ ' ' A' ' 20' ' ' TYR . 18.3 Cg_endo -74.94 69.11 5.59 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.511 ' CD1' HG12 ' A' ' 32' ' ' VAL . 19.3 m-85 -39.07 -60.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.42 ' O ' ' N ' ' A' ' 38' ' ' LEU . 1.4 m -39.98 -56.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.948 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' CD ' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -46.09 -45.29 16.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' TYR . 36.2 m-85 -76.17 -24.25 54.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 35' ' ' SER . 93.8 mt -76.35 -55.46 5.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 72.9 mtm -70.03 -22.96 63.05 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.625 ' CG ' HD13 ' A' ' 85' ' ' LEU . 65.5 m-70 -131.1 68.02 81.34 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.44 1.088 . . . . 0.0 109.599 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -22.34 14.98 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.504 1.792 . . . . 0.0 111.022 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.425 ' CB ' ' OE2' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -81.94 -34.38 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.51 ' HG2' HD11 ' A' ' 85' ' ' LEU . 2.5 mp0 -86.81 -49.28 7.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.626 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.2 mt -115.19 118.06 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.325 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -147.59 -177.86 5.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.592 HG23 HD22 ' A' ' 55' ' ' LEU . 42.8 t -125.15 141.71 44.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.594 HG22 HG23 ' A' ' 79' ' ' VAL . 3.8 m -121.78 146.64 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.8 -28.71 13.06 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.694 HD23 HD11 ' A' ' 76' ' ' ILE . 20.3 mt -41.9 153.83 0.27 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.993 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.03 -177.93 3.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.493 1.786 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.48 145.03 33.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 64.86 29.89 76.53 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.493 1.12 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.993 HD12 ' HG2' ' A' ' 50' ' ' PRO . 14.1 mt -145.6 138.54 21.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.16 -150.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.592 HD22 HG23 ' A' ' 46' ' ' VAL . 61.2 tp -107.6 110.83 22.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 61' ' ' PHE . 26.5 mtt180 -162.62 158.54 23.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.454 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 5.3 mtt180 -43.03 139.55 2.17 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.131 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.99 52.52 3.07 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -139.26 -45.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.39 53.38 2.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.338 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 56' ' ' ARG . 58.4 m-85 -147.05 178.82 8.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.976 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' ILE . . . -110.52 148.9 17.63 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.535 1.147 . . . . 0.0 111.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLY . 1.1 mp -40.04 -57.94 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.46 29.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 66' ' ' LEU . 32.2 mttt -55.97 -62.7 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 12' ' ' VAL . 76.2 mt -40.13 -49.21 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -60.55 -57.48 12.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.5 -64.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.795 HG23 HD11 ' A' ' 76' ' ' ILE . 60.1 mt -44.22 -53.72 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.6 mt -56.59 -41.55 77.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -67.69 -23.65 65.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -106.66 23.08 14.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.673 ' HB2' HD13 ' A' ' 15' ' ' LEU . 89.8 p -57.19 -67.57 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -41.33 -44.84 2.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.1 m -66.69 -49.32 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.795 HD11 HG23 ' A' ' 69' ' ' ILE . 6.6 mt -45.48 150.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -170.5 126.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 110.357 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -84.85 98.88 10.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.594 HG23 HG22 ' A' ' 47' ' ' VAL . 69.6 t -84.14 130.89 35.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.688 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.8 mm -110.45 130.29 64.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.95 -49.91 2.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.626 ' O ' HD21 ' A' ' 44' ' ' LEU . 5.6 mpt_? -131.61 95.58 23.01 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -12.92 21.46 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.976 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -19.25 65.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.625 HD13 ' CG ' ' A' ' 40' ' ' HIS . 23.5 mt -71.12 -45.24 64.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.507 ' HA ' ' CD ' ' A' ' 36' ' ' LYS . 31.0 mt -40.19 -50.74 2.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.7 p -83.0 -142.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.395 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 176.43 67.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.43 60.17 7.41 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.511 1.132 . . . . 0.0 111.045 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.2 t 63.09 130.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 0.756 . . . . 0.0 109.264 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.39 126.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -97.01 153.87 38.38 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 80.54 2.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.499 1.789 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.4 p -157.49 103.66 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -54.29 108.1 0.81 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 158.79 41.93 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.469 1.773 . . . . 0.0 111.015 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.11 137.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.01 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.3 t -120.13 169.55 10.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.26 -57.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 0.0 109.97 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.0 p -142.1 148.01 37.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.1 -92.68 1.59 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.506 1.129 . . . . 0.0 110.988 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.6 133.6 42.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 0.739 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -75.39 74.96 2.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.38 -5.56 49.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.582 1.176 . . . . 0.0 111.016 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 29.7 mt -58.02 -47.53 82.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.311 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 8' ' ' LEU . 6.4 mtm105 -36.96 -58.51 0.77 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 110.346 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -54.78 -47.01 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.478 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.9 mt-30 -59.36 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 110.289 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.585 HG21 HD22 ' A' ' 66' ' ' LEU . 93.9 t -51.76 -56.17 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -42.44 -51.5 4.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' O ' ' CB ' ' A' ' 18' ' ' THR . 42.9 tp -57.53 -44.62 85.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.685 HD13 ' HB2' ' A' ' 73' ' ' SER . 34.9 tp -57.9 -64.52 0.88 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -53.78 -50.87 65.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' VAL . 4.1 m120 -57.57 -49.72 75.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 14' ' ' LEU . 23.0 m -58.02 -49.99 74.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 48.1 mmt-85 -55.12 -45.75 75.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 31' ' ' LYS . 26.2 t80 -52.53 -45.14 66.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' O ' ' A' ' 28' ' ' GLU . . . -49.08 -49.52 41.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 28.3 tttp -57.88 -30.27 65.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.155 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.681 ' HB1' ' CG1' ' A' ' 80' ' ' ILE . . . -73.68 -16.14 61.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 1.152 . . . . 0.0 109.247 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.458 ' CG1' ' HA ' ' A' ' 21' ' ' ALA . 24.1 pt -119.59 8.4 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . 67.18 32.81 81.17 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.436 1.085 . . . . 0.0 110.971 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 28' ' ' GLU . 1.9 mt -105.94 143.78 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.56 -38.2 20.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 110.01 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 5.8 pt-20 -83.24 159.95 60.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.282 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.427 ' HD2' ' HB2' ' A' ' 28' ' ' GLU . 18.3 Cg_endo -75.0 134.45 17.82 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.469 1.773 . . . . 0.0 111.041 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.493 HG12 ' N ' ' A' ' 31' ' ' LYS . 55.7 t -121.65 165.97 16.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' O ' ' CD2' ' A' ' 20' ' ' TYR . 22.3 mtmt -68.29 150.79 47.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.343 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.487 HG12 ' CD1' ' A' ' 34' ' ' TYR . 3.1 t -112.04 117.9 47.17 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.636 ' HG2' HD22 ' A' ' 86' ' ' LEU . 18.3 Cg_endo -74.97 68.15 5.78 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.997 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.487 ' CD1' HG12 ' A' ' 32' ' ' VAL . 20.9 m-85 -36.6 -58.53 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -41.4 -56.48 2.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.997 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 33' ' ' PRO . 5.4 mmtp -47.36 -43.56 23.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.524 ' HB3' HD23 ' A' ' 55' ' ' LEU . 35.2 m-85 -77.62 -23.07 49.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 34' ' ' TYR . 91.2 mt -78.73 -57.77 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 68.4 mtm -68.23 -23.25 64.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.902 ' CG ' HD13 ' A' ' 85' ' ' LEU . 21.9 m-70 -130.32 69.04 81.92 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.636 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.25 18.03 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.474 1.776 . . . . 0.0 110.956 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -83.87 -38.38 21.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' LYS . 3.2 mp0 -83.1 -52.8 6.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.765 HD21 ' O ' ' A' ' 82' ' ' ARG . 3.0 mt -112.0 119.29 37.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.585 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 39.0 p90 -150.03 -178.43 6.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.946 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 55' ' ' LEU . 73.4 t -128.64 138.58 54.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.334 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.507 HG22 HG23 ' A' ' 79' ' ' VAL . 17.7 m -118.65 155.35 20.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.65 -23.19 37.14 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.544 1.153 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.56 HD23 HD11 ' A' ' 76' ' ' ILE . 24.9 mt -44.71 153.74 0.46 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.971 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -74.99 -177.6 3.58 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 141.57 38.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.542 1.151 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 66.2 29.92 75.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.971 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.1 mt -146.75 141.87 20.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.9 -150.64 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.992 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.706 HD13 HG21 ' A' ' 46' ' ' VAL . 23.1 tp -103.81 112.87 26.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.531 ' HB2' ' CE1' ' A' ' 61' ' ' PHE . 12.3 mtt85 -160.97 167.22 26.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.15 132.9 9.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.498 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.96 63.11 5.94 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -161.86 -43.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 1.158 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.4 m -59.04 -22.37 60.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 108.314 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 56' ' ' ARG . 88.3 m-85 -78.8 178.03 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 111.018 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -109.74 154.2 16.63 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -41.79 -57.24 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 109.313 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 -50.24 22.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.097 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -60.52 -60.16 4.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.585 HD22 HG21 ' A' ' 12' ' ' VAL . 84.3 mt -39.55 -48.03 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -59.41 -57.87 11.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.313 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.88 -62.25 0.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.827 HG23 HD11 ' A' ' 76' ' ' ILE . 83.6 mt -45.77 -52.14 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.5 mt -56.66 -39.42 73.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.44 -24.72 62.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.259 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -108.31 30.54 6.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.685 ' HB2' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.16 -63.55 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -45.57 -43.94 12.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 109.264 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 110.012 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.827 HD11 HG23 ' A' ' 69' ' ' ILE . 9.2 mt -46.1 155.29 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' VAL . 22.1 tt0 -170.36 129.14 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -90.33 98.38 11.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.585 ' HB ' ' CE1' ' A' ' 45' ' ' PHE . 73.3 t -84.36 132.18 32.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.681 ' CG1' ' HB1' ' A' ' 23' ' ' ALA . 9.1 mm -112.82 130.41 66.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.404 ' CG ' ' O ' ' A' ' 43' ' ' GLU . 0.7 OUTLIER -112.95 -44.75 3.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.354 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.765 ' O ' HD21 ' A' ' 44' ' ' LEU . 17.1 mtp180 -133.75 93.08 21.55 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -14.63 21.18 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.471 1.774 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.554 ' O ' HG23 ' A' ' 87' ' ' THR . 11.0 pt-20 -60.12 -22.39 62.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.286 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.902 HD13 ' CG ' ' A' ' 40' ' ' HIS . 73.2 mt -70.13 -45.36 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.636 HD22 ' HG2' ' A' ' 33' ' ' PRO . 60.0 mt -46.03 -80.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 84' ' ' GLU . 37.2 p 36.5 61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.62 166.77 22.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.338 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -157.94 134.91 4.08 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.0 p -66.21 134.06 30.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.544 0.79 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.16 157.34 46.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 109.371 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -169.28 92.23 0.56 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.1 22.67 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.71 147.74 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.042 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -131.36 -166.69 11.74 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.488 1.117 . . . . 0.0 110.987 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -36.94 2.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.515 1.797 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 2.3 m 62.78 142.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.01 103.65 4.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.012 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.54 1.15 . . . . 0.0 110.995 179.996 . . . . . . . . 0 0 . 1 stop_ save_