data_2dnw_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 2dnw _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 ' 13' ' ' LEU . . . . . 0.468 ' CD2' HD12 ' A' ' 16' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.85 -22.75 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.34 -36.87 8.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.468 HD12 ' CD2' ' A' ' 13' ' ' LEU . 88.9 mt -59.84 -59.04 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.725 . . . . 0.0 109.37 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' VAL . 9.8 tt0 -52.87 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -40.41 -45.6 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -63.51 -44.87 93.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' GLN . 20.7 t -54.32 -41.13 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -78.76 -50.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -48.31 -49.61 33.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 62' ' ' GLU . 25.4 t -61.78 -44.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.62 -31.5 72.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' LEU . 16.1 mttt -69.14 -47.65 64.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.2 mt -45.18 -26.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -84.11 98.94 10.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -49.43 -39.48 33.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.56 -36.12 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.9 mt -97.08 119.27 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.99 140.5 50.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.739 1.256 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.58 2.187 . . . . 0.0 112.357 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -51.78 55.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.285 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -68.25 -44.35 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.76 141.93 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.375 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.7 m -165.05 143.17 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 79' ' ' GLN . 7.1 p -45.85 -28.77 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.95 55.88 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.71 118.44 21.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.521 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 27.6 t-80 -59.96 175.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.542 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.452 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 16.8 m-85 -116.13 -25.4 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.8 mtt -114.81 -24.59 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 2.7 mtpt -87.87 -29.46 20.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.175 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.68 -72.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.0 mt -55.38 -53.05 61.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 86.19 42.32 6.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.07 -177.53 6.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -114.86 161.09 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -50.66 -42.13 56.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.82 -26.12 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.08 -28.16 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 34.6 tp60 -66.41 -43.3 86.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.0 -37.42 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 mt -42.01 -51.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.402 ' CG2' ' HB2' ' A' ' 72' ' ' ALA . 23.1 mm -57.77 -60.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -29.83 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.83 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.1 mmt -73.18 -34.06 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' ' CA ' ' A' ' 64' ' ' GLY . 37.0 mt-10 -64.09 -25.56 68.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -94.31 -51.48 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 3.1 tp10 -52.09 -27.35 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.637 ' CD2' ' CD1' ' A' ' 85' ' ' ILE . 36.8 m-85 -112.93 -27.12 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 79.07 69.67 1.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 18.8 m-85 -138.06 -175.23 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 0.726 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 2.5 pt-20 -133.41 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.524 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 10.7 mt -92.48 116.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.863 1.316 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 159.19 54.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -24.82 63.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.4 -25.63 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -96.85 -52.45 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -48.91 -31.33 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.237 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.33 -31.87 60.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.5 -14.19 59.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 22.7 mt -94.53 115.14 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.5 mmt -128.6 14.46 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -155.57 159.25 31.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.825 1.298 . . . . 0.0 108.27 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HD3' ' CE1' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.77 -36.21 11.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.437 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 61.1 tp60 -66.83 -32.43 73.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.409 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.03 -29.83 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' TYR . 10.8 mt -78.65 -49.96 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.1 t -43.51 -43.89 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.74 93.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.3 t80 -64.59 -32.43 74.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.637 ' CD1' ' CD2' ' A' ' 63' ' ' PHE . 7.7 mm -78.27 -58.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.53 -53.24 48.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 7.7 mmtt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.03 -44.87 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.56 35.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.441 ' CG2' ' HB ' ' A' ' 85' ' ' ILE . 77.5 mt -57.57 -53.81 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -53.79 -65.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.35 -41.81 4.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' CG1' ' CB ' ' A' ' 78' ' ' PRO . 11.1 t -51.65 -49.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -57.26 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -42.92 -46.12 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 58' ' ' ALA . 6.1 t -66.17 -48.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -57.97 -43.18 86.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' ' 27' ' ' TYR . 11.6 mttt -50.57 -47.46 57.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.5 mt -40.18 -29.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 1.8 t80 -81.72 100.04 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.48 -38.41 43.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -52.27 -33.76 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.8 mt -97.5 131.26 44.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.05 139.11 21.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.837 1.304 . . . . 0.0 109.267 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -45.75 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -23.13 62.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 12.4 mtpp -93.8 -51.13 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 36' ' ' SER . 4.3 tt -39.42 149.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -158.78 129.46 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.054 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' SER . 8.3 p -39.7 -30.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 36' ' ' SER . 8.4 t-20 -121.64 61.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.36 134.03 45.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 76' ' ' MET . 28.8 t-80 -80.0 141.6 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.546 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.406 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 72.0 m-85 -80.51 -10.65 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.2 mtt -127.08 -40.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.522 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -91.78 23.93 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -156.81 -68.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 32.4 mt -65.83 -67.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.01 32.85 1.46 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.181 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.66 165.59 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.351 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -97.14 176.91 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.8 m -59.74 -42.36 93.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -47.38 -37.46 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.471 ' OD1' ' CE2' ' A' ' 27' ' ' TYR . 7.5 t70 -73.15 -33.86 65.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.0 tm0? -61.03 -43.12 99.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.41 -47.96 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.32 -54.59 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.464 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 15.4 mt -51.03 -51.54 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.35 -63.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' GLU . 9.8 mtt -40.89 -50.53 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -42.82 -47.59 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.438 ' HE2' ' CG1' ' A' ' 23' ' ' VAL . 19.6 mmt -68.35 -33.78 74.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' MET . 39.3 mt-10 -65.83 -21.0 66.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -100.98 -50.38 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -51.91 -35.68 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CD2' ' CD1' ' A' ' 85' ' ' ILE . 32.5 m-85 -107.67 -20.5 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.59 59.35 3.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 22.4 m-85 -128.38 167.11 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.68 85.11 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.524 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 22.0 mt -88.79 126.35 59.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.75 1.262 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -179.54 2.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -24.69 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -66.12 -24.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -97.84 -52.23 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -49.53 -27.14 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -80.13 -32.23 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -80.83 -18.27 47.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 32.6 mt -88.15 116.11 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.56 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 10.3 mmt -134.42 14.89 3.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.26 158.23 31.45 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.771 1.272 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.442 ' CB ' ' CG1' ' A' ' 20' ' ' VAL . 54.0 Cg_endo -69.8 -38.46 7.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.607 2.205 . . . . 0.0 112.378 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.4 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 33.2 tp60 -62.62 -33.36 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.82 89.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.334 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 84' ' ' TYR . 8.8 mt -68.32 -52.21 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.418 HG22 ' CG2' ' A' ' 20' ' ' VAL . 87.0 t -42.63 -47.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -43.52 76.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 8.9 t80 -66.75 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.583 ' CD1' ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.36 -57.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.87 -46.62 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.06 -51.25 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 85' ' ' ILE . 10.8 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -45.62 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.91 -33.43 55.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.429 HG21 ' CG2' ' A' ' 85' ' ' ILE . 50.3 mt -65.59 -53.99 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -52.46 -61.29 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -42.26 8.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -66.56 -43.15 85.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 82' ' ' VAL . 4.6 t -54.41 -50.47 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.5 -44.8 73.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -55.67 -50.61 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 24.5 t -62.22 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 61.8 mt -61.61 -34.05 74.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -68.52 -40.25 80.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.19 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -50.24 -32.7 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.99 -33.63 57.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 10.5 mttp -58.83 -26.59 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' A' ' 55' ' ' ILE . 77.6 mt -101.9 111.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.06 135.52 70.18 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.811 1.291 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -17.76 8.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -104.93 -41.49 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -42.06 119.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.69 144.02 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.943 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 p -55.41 -22.3 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -126.95 56.48 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.78 145.08 50.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 16.1 t-80 -88.49 144.04 26.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.424 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 16.8 m-30 -88.2 -3.12 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mtt -118.61 -35.46 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -86.37 -69.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -83.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 mt -41.22 -57.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.47 4.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 mt -96.72 -176.12 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -113.94 171.99 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.97 -46.38 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 0.0 110.074 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -49.85 -36.21 26.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -77.95 -26.32 48.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' SER . 7.4 tm0? -71.44 -34.93 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 7.5 p -68.99 -27.52 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.453 ' N ' HG11 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -81.21 -37.08 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.448 ' CD1' HD13 ' A' ' 30' ' ' ILE . 31.8 mt -62.02 -51.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.53 -59.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 mmt -43.9 -39.76 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.01 -45.36 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.4 mmt -70.83 -34.15 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -20.79 65.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.74 -52.95 3.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.525 ' OE1' ' CE1' ' A' ' 63' ' ' PHE . 7.2 tm-20 -53.5 -32.43 50.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.546 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 25.3 m-85 -105.7 -24.57 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 52.7 8.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 15.8 m-85 -121.12 -176.63 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -135.4 86.33 2.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.521 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -89.99 125.09 61.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.77 1.272 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.6 16.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.607 2.205 . . . . 0.0 112.322 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.11 -24.52 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.33 -25.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -94.76 -50.23 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -48.19 -32.56 7.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.35 -32.2 54.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -80.62 -11.73 59.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.1 mt -94.58 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 11.6 mmt -131.93 17.06 4.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.51 159.62 30.67 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 122.84 1.305 . . . . 0.0 108.174 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.456 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.77 -42.27 3.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.621 2.214 . . . . 0.0 112.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -61.27 -35.8 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 74' ' ' LYS . 2.8 mt-10 -58.9 -43.48 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.349 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' TYR . 16.0 mt -63.18 -54.54 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.065 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 20' ' ' VAL . 94.7 t -42.83 -44.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.15 -45.55 72.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.1 t80 -65.36 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.533 ' CD1' ' CD2' ' A' ' 63' ' ' PHE . 17.4 mm -75.18 -62.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.476 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.54 -41.58 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.67 65.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ILE . 3.0 mmtp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.378 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.504 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.61 -43.36 25.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.18 -34.31 46.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.406 ' CD1' HG21 ' A' ' 85' ' ' ILE . 65.2 mt -63.99 -54.59 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.29 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -45.38 -46.3 13.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -60.8 -47.93 84.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 ' CG2' HG21 ' A' ' 82' ' ' VAL . 13.0 t -50.64 -54.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.74 -52.78 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -48.06 -53.68 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.486 ' CG1' ' CB ' ' A' ' 58' ' ' ALA . 35.9 t -57.42 -41.97 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.31 -42.32 93.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.364 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' TYR . 29.1 mttt -57.53 -43.75 84.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.9 mt -44.39 -27.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.7 t80 -86.34 101.1 12.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.72 -39.1 50.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -50.85 -28.62 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.419 ' CG1' HD11 ' A' ' 47' ' ' LEU . 56.2 mt -103.6 127.37 57.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.89 135.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.828 1.299 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.69 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -29.97 11.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . 16.4 mttm -91.92 -51.65 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' LYS . 4.5 tt -40.31 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.46 ' CB ' ' HB2' ' A' ' 39' ' ' SER . 0.2 OUTLIER -163.8 129.5 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' SER . 8.4 p -39.95 -30.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' SER . 41.9 m-20 -120.62 60.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -139.49 141.64 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.446 ' ND1' ' N ' ' A' ' 42' ' ' MET . 62.2 t-80 -75.59 173.98 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 69.1 m-85 -103.79 10.36 36.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.446 ' N ' ' ND1' ' A' ' 40' ' ' HIS . 62.2 mtt -144.65 -44.81 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -52.47 -49.76 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 3.8 t70 -108.51 -65.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 88.6 mt -42.37 -77.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.73 57.08 0.7 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 HD11 ' CG1' ' A' ' 30' ' ' ILE . 20.4 mt -109.04 -171.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.7 165.57 20.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 p -53.84 -39.7 65.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.072 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.09 -28.42 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -87.67 -24.74 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.172 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 35.4 tp60 -64.81 -35.68 81.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.35 -32.51 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -56.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 mt -44.46 -54.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.3 mm -56.11 -54.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.9 mmm -49.07 -27.47 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.486 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -66.99 -40.75 87.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.2 mmt -79.95 -22.06 43.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.82 -20.55 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -96.82 -44.78 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.36 -43.85 96.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.544 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 68.1 m-85 -103.69 11.06 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.9 58.5 1.51 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.4 m-85 -116.18 -175.37 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -138.36 84.48 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.518 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 7.9 mt -89.52 121.52 69.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.836 1.303 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 162.45 41.99 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -24.69 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.3 -25.15 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -96.48 -51.54 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -47.08 -32.81 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' CE ' ' A' ' 76' ' ' MET . 21.5 pt-20 -75.44 -35.14 60.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -76.42 -17.8 59.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 34.8 mt -90.0 114.71 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.419 ' HB3' ' NE2' ' A' ' 40' ' ' HIS . 6.3 mmt -132.49 19.67 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.27 159.17 18.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.764 1.269 . . . . 0.0 108.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 -40.74 4.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -60.01 -38.96 84.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' TYR . 22.3 mt -72.94 -51.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.463 HG21 ' CG2' ' A' ' 20' ' ' VAL . 93.1 t -44.6 -40.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.518 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 31.7 t80 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.487 HG23 ' CD1' ' A' ' 63' ' ' PHE . 19.6 mm -74.58 -61.9 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.504 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.55 -56.76 2.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.72 -55.54 11.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.23 -21.47 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.17 -23.96 42.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.452 HG21 ' CG2' ' A' ' 85' ' ' ILE . 40.1 mt -72.23 -56.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -51.87 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.35 -48.11 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -59.88 -51.7 68.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.417 ' CG2' HG23 ' A' ' 82' ' ' VAL . 4.0 t -46.86 -49.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -70.44 -53.91 14.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -44.43 -52.97 7.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 50.5 t -58.63 -44.05 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CB ' HD13 ' A' ' 35' ' ' LEU . 49.1 mt -62.52 -42.79 99.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 27' ' ' TYR . 7.2 mttp -58.2 -45.44 87.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.221 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -45.21 -26.57 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.2 t80 -86.37 97.52 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.52 -50.73 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -40.51 -39.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' TYR . 14.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.34 136.97 19.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.758 1.266 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.62 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -16.21 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.2 mttt -100.86 -49.76 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.482 HD13 ' CB ' ' A' ' 24' ' ' LEU . 5.3 tt -39.51 152.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.446 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -165.59 129.72 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -40.36 -29.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 36' ' ' SER . 9.5 t-20 -118.98 58.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.24 121.65 20.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 38.2 t-80 -66.88 151.17 48.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 87.7 m-85 -87.65 3.01 49.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.419 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 36.7 mtt -138.61 -44.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.77 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.04 -71.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 54.5 mt -54.56 -68.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.69 45.01 1.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -94.2 176.99 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.01 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -63.43 -50.49 69.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -51.87 -23.62 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.06 -26.84 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' SER . 15.2 tm0? -79.26 -30.05 42.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 54' ' ' GLU . 8.9 p -73.71 -40.67 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.42 ' N ' HG11 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -65.98 -49.78 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.3 mt -47.73 -56.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.3 mm -51.7 -54.59 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.37 -32.52 11.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -63.3 -40.94 98.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.17 -28.61 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.29 -23.72 63.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.66 -49.29 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 12.2 tm-20 -52.09 -27.46 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CD2' HD12 ' A' ' 85' ' ' ILE . 31.3 m-85 -114.65 -27.51 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.91 61.77 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 17.0 m-85 -126.84 -174.74 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -133.31 84.9 2.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 30.3 mt -94.49 114.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.791 1.282 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 163.78 37.0 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.94 -25.43 68.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -96.16 -54.67 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -46.45 -37.21 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.86 -36.63 83.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.63 -12.23 60.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.372 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -98.09 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.417 ' HB3' ' NE2' ' A' ' 40' ' ' HIS . 9.5 mmt -132.65 18.32 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.401 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -156.72 159.43 31.33 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.756 1.265 . . . . 0.0 108.275 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -54.9 -37.12 65.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.19 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' TYR . 10.6 mt -63.22 -53.57 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.417 HG23 ' CG2' ' A' ' 20' ' ' VAL . 87.7 t -42.52 -45.76 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.91 -43.93 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.4 t80 -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.56 HD12 ' CD2' ' A' ' 63' ' ' PHE . 6.6 mm -80.73 -62.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.14 -37.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.63 -50.55 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 7.0 mmtt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ILE . 1.1 mm? . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -42.56 -35.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.69 -41.5 74.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.5 mt -57.19 -52.81 51.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.579 0.811 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 20' ' ' VAL . 6.5 tt0 -54.42 -66.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.69 -44.08 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -63.09 -47.88 80.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.424 HG23 ' CG2' ' A' ' 82' ' ' VAL . 4.2 t -51.22 -46.77 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -73.34 -51.32 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -47.95 -48.88 31.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.438 ' CG1' ' CB ' ' A' ' 58' ' ' ALA . 41.5 t -63.22 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 75.5 mt -65.69 -30.4 71.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 5.1 mttt -65.29 -42.14 93.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt -47.92 -30.1 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.1 t80 -80.84 98.9 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.01 -44.41 9.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -47.35 -37.29 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' TYR . 33.2 mt -92.99 109.08 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.24 138.32 75.27 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 122.838 1.304 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -45.25 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -17.58 49.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.46 -42.11 6.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 tt -40.09 122.35 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.49 139.75 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.4 -26.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.05 55.85 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -124.14 139.5 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 15.9 t-80 -89.58 152.0 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 71.2 m-85 -88.21 3.2 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.7 mtt -139.81 -48.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -55.17 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -83.28 -71.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 75.0 mt -40.01 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.53 46.37 1.98 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mt -93.23 -170.87 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -114.11 163.09 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.7 OUTLIER -57.48 -42.38 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 4.2 mp -52.51 -33.91 47.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.52 -22.95 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 6.1 tm0? -73.93 -38.98 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 9.3 p -65.71 -27.7 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -82.95 -47.07 12.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 41' ' ' PHE . 10.1 mt -51.5 -47.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.4 mm -61.78 -52.31 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -26.59 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.438 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -68.44 -41.83 79.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.7 mmt -77.27 -23.13 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -76.7 -23.28 53.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -97.21 -48.01 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 4.0 tm-20 -54.55 -41.86 70.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.526 ' CD2' HD13 ' A' ' 85' ' ' ILE . 76.6 m-85 -109.77 15.29 22.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 63.56 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 88' ' ' LYS . 4.5 m-85 -122.71 -178.21 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.55 91.92 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.519 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -97.85 119.48 62.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.752 1.263 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.13 28.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -24.34 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -70.79 -25.32 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.419 ' N ' HG13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -101.21 -41.87 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.75 -22.79 64.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' ' CE ' ' A' ' 76' ' ' MET . 22.8 pt-20 -82.16 -33.4 29.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.429 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 17.9 mt -96.85 116.25 28.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 73' ' ' GLU . 5.9 mmt -133.12 7.94 4.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.03 161.15 33.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.846 1.307 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.0 Cg_endo -69.82 -37.88 8.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.742 2.295 . . . . 0.0 112.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -64.78 -35.14 80.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.15 -32.76 72.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' TYR . 14.8 mt -74.14 -52.04 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.424 ' CG2' HG23 ' A' ' 20' ' ' VAL . 92.5 t -44.75 -40.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.72 -41.53 99.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 13.5 t80 -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.526 HD13 ' CD2' ' A' ' 63' ' ' PHE . 9.6 mm -72.08 -61.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.93 -56.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -50.24 53.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.234 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -46.98 -41.5 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.76 -41.27 29.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.463 HG23 ' CG2' ' A' ' 85' ' ' ILE . 33.8 mt -58.16 -56.12 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -51.08 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -43.71 -46.63 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -60.68 -51.99 67.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 82' ' ' VAL . 17.4 t -44.01 -39.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -76.7 -41.45 45.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.85 -55.26 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.44 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 69.7 t -57.64 -40.87 77.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 70.9 mt -68.14 -34.9 77.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.4 mttt -64.08 -45.94 86.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.42 -25.56 4.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.5 t80 -82.54 98.79 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.78 -40.64 9.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.591 1.182 . . . . 0.0 109.37 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.06 -37.53 46.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' TYR . 29.9 mt -96.21 103.09 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.87 138.84 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.786 1.279 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.77 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.5 -14.66 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -106.69 -39.69 5.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -40.52 122.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.39 143.86 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' CG ' ' A' ' 79' ' ' GLN . 2.6 p -54.31 -20.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -124.96 59.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -123.71 129.98 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 46.3 t-80 -74.79 146.4 42.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 76' ' ' MET . 4.2 m-30 -83.81 8.02 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.427 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 29.0 mtt -144.86 -56.91 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -40.63 -62.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 82.0 mt -40.56 -56.4 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.45 44.01 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.61 164.15 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -100.34 174.41 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 p -62.28 -50.12 72.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mt -51.73 -23.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.95 -26.71 21.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 14.2 tm0? -78.68 -30.38 46.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 54' ' ' GLU . 8.4 p -73.01 -39.24 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -68.12 -44.87 75.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.1 mt -51.66 -54.2 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 59' ' ' MET . 14.8 mm -49.89 -62.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.47 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -47.17 66.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ILE . 17.4 mmt -67.41 -37.74 83.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -61.96 -19.2 62.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -98.94 -53.21 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -52.81 -37.13 59.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 48.6 m-85 -104.26 -13.05 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.16 52.84 44.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 10.3 m-85 -117.82 178.57 4.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 85.67 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 5.8 mt -93.22 121.79 64.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.805 1.288 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.66 30.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.743 2.295 . . . . 0.0 112.295 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -24.6 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -68.71 -25.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -97.23 -46.95 5.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.458 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -53.23 -28.1 25.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -77.11 -34.53 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -11.13 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 17.9 mt -95.36 117.75 30.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.538 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 17.2 mmt -124.63 -38.76 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.425 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -104.83 165.2 13.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 122.755 1.264 . . . . 0.0 108.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.464 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.83 -39.04 6.84 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.462 ' CG ' ' CG2' ' A' ' 37' ' ' VAL . 1.1 tm0? -67.06 -28.68 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.37 -50.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 20' ' ' VAL . 94.4 t -45.16 -43.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.223 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -46.77 65.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.522 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.0 t80 -65.78 -37.6 86.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.463 ' CG2' HG23 ' A' ' 16' ' ' ILE . 31.4 mm -66.19 -61.99 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -39.3 -57.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -44.59 -53.66 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -50.48 -23.69 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.81 -31.9 22.71 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.422 ' CD1' HG23 ' A' ' 85' ' ' ILE . 49.0 mt -67.7 -56.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -49.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -41.94 -49.95 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mmt-85 -59.22 -52.78 64.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.418 ' CG2' HG23 ' A' ' 82' ' ' VAL . 24.0 t -43.66 -49.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -73.56 -57.0 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -38.84 -53.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 83.8 t -59.22 -51.38 73.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 30' ' ' ILE . 75.1 mt -54.98 -34.2 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -69.01 -42.41 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 mt -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.454 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.02 104.36 10.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -52.4 -37.44 56.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 1.3 mtpt -53.44 -32.11 48.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 24' ' ' LEU . 59.7 mt -96.25 141.29 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 137.32 19.19 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 122.817 1.294 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.76 72.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -81.36 -43.33 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tp -48.61 154.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' ASN . 2.1 m -174.95 144.74 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.2 p -47.4 -25.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' SER . 3.0 m-80 -129.88 65.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.11 117.25 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.26 168.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.402 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 11.7 m-30 -103.09 11.39 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.5 mtt -143.66 -47.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 1.8 pttt -55.26 -50.71 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 22.0 t0 -100.14 -64.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 80.5 mt -50.53 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.13 40.13 1.72 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.03 -170.01 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.72 174.05 9.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 15.5 p -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.4 mt -50.69 -27.06 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -87.67 -27.71 22.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 33.9 tp60 -62.15 -37.4 85.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.77 -37.05 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -49.3 49.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.5 mt -52.54 -62.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 75' ' ' LEU . 10.3 mm -50.64 -57.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 mmt -41.84 -39.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -59.29 -46.65 87.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' ILE . 16.1 mmt -66.46 -34.98 79.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.76 -18.39 59.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -99.45 -52.88 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 2.2 mm-40 -52.52 -31.4 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 37.3 m-85 -108.15 -22.18 12.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 58.91 5.99 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 88' ' ' LYS . 14.0 m-85 -126.0 -176.11 3.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 0.797 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -132.15 84.71 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 9.1 mt -92.74 116.92 67.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.844 1.307 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.65 45.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.39 -24.83 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -68.32 -25.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' LYS . 1.3 m-20 -96.5 -52.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.419 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -49.76 -30.5 9.6 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.612 1.195 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.438 ' O ' ' CE ' ' A' ' 76' ' ' MET . 18.9 pt-20 -76.4 -29.97 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.29 -14.98 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 56' ' ' ILE . 22.2 mt -92.38 116.88 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 73' ' ' GLU . 25.9 mmt -119.02 -26.55 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.34 163.22 31.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 0.0 108.371 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.416 ' HB2' ' CG1' ' A' ' 20' ' ' VAL . 53.6 Cg_endo -69.82 -39.84 5.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -54.19 -48.86 70.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -41.13 31.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 56.0 mt -64.45 -47.85 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 20' ' ' VAL . 93.9 t -52.81 -40.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.6 t80 -61.72 -61.18 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.492 HG13 ' CE2' ' A' ' 63' ' ' PHE . 27.4 mm -39.33 -58.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.75 -55.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mmtt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -51.83 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.04 -37.15 64.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 85' ' ' ILE . 94.2 mt -57.21 -57.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.5 tt0 -54.5 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -40.02 -46.6 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.213 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -60.2 -48.26 82.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' GLN . 18.8 t -51.68 -39.19 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.67 -48.58 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -52.12 -46.8 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' ALA . 56.2 t -67.47 -48.29 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 38.8 mt -58.3 -27.21 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 27' ' ' TYR . 5.7 mttt -72.06 -45.92 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 mt -43.5 -27.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.548 ' CD2' HD11 ' A' ' 30' ' ' ILE . 1.4 t80 -82.77 97.47 8.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 111.06 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -45.66 -42.83 11.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -48.94 -37.85 21.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 27' ' ' TYR . 13.2 mt -92.29 108.2 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.5 138.43 93.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.772 1.273 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.4 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -19.73 57.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -97.62 -42.01 7.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.05 104.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.41 136.54 41.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.419 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 1.1 m -45.44 -40.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -101.95 51.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.47 118.53 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -70.37 146.48 50.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 14.9 m-85 -84.55 -4.71 59.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 -47.63 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -69.91 -60.92 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -85.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -42.11 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.6 57.37 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.8 mt -100.26 -170.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 0.811 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -119.32 155.6 31.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -51.5 -45.06 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.43 -33.47 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.63 -26.56 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.4 tm0? -64.71 -46.22 83.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.09 -31.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -51.55 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' A' ' 24' ' ' LEU . 8.8 mt -45.87 -43.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 72' ' ' ALA . 13.0 mm -64.94 -59.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.398 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.9 mtt -40.74 -52.31 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.466 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -44.96 -52.53 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.48 -35.2 75.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -66.25 -21.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -99.31 -50.92 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 25.9 tp10 -52.02 -29.26 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.556 ' CD2' HD13 ' A' ' 85' ' ' ILE . 35.1 m-85 -112.4 -25.0 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.99 73.47 1.08 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.0 m-85 -139.96 -177.34 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -134.22 80.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 9.6 mt -91.08 117.77 68.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.815 1.293 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.69 26.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -24.5 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.372 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 2.1 pt -65.6 -28.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -97.12 -54.22 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.411 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . . . -46.69 -35.7 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -69.06 -36.22 77.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -72.85 -13.5 61.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -94.97 116.42 28.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmt -127.27 5.14 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 161.13 43.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.793 1.282 . . . . 0.0 108.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.565 ' HD3' ' CE1' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.77 -50.27 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -54.3 -37.6 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -37.35 69.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' TYR . 7.3 mt -69.31 -51.69 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.0 t -43.25 -47.28 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -51.97 -45.09 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.522 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -66.33 -31.43 72.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.74 -59.22 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -44.55 -53.07 7.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -46.85 29.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.52 ' CD1' ' CG1' ' A' ' 82' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.54 -29.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -74.82 -61.82 2.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.6 mt -40.47 -54.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 9.7 tt0 -47.86 -65.2 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 8.1 t0 -38.42 -60.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.47 -58.01 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 17' ' ' GLN . 50.7 t -39.85 -31.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 19' ' ' ARG . 1.8 mt -89.88 -52.72 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -46.33 -40.15 11.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 58' ' ' ALA . 48.5 t -74.97 -50.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.428 HD23 ' CD1' ' A' ' 30' ' ' ILE . 14.5 mt -52.21 -28.69 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -74.09 -46.74 41.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 mt -40.92 -36.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -72.48 106.85 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.16 -20.78 43.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -70.31 -33.36 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.391 1.057 . . . . 0.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.428 ' CD1' HD23 ' A' ' 24' ' ' LEU . 51.2 mt -95.5 143.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.93 141.4 22.47 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 122.827 1.299 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -46.44 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.765 2.31 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -34.07 73.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.8 -40.95 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.47 146.97 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.31 143.62 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -48.92 -27.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -122.75 59.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.09 112.34 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -59.06 167.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.457 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 9.8 m-30 -99.0 6.88 46.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.3 mtt -139.9 -45.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 8.9 pttt -57.36 -51.24 70.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 6.6 t70 -99.51 -65.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 95.4 mt -49.76 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.36 39.39 1.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mt -95.0 -173.81 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -122.35 170.81 9.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -60.9 -42.72 98.56 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.382 1.052 . . . . 0.0 109.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.22 -33.69 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -86.02 -27.8 24.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.1 tm0? -62.75 -44.09 97.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.62 -31.28 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -46.29 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.2 mt -55.38 -47.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' MET . 11.1 mm -56.05 -60.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mmt -39.93 -45.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.401 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -51.65 -46.43 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' ILE . 19.2 mmt -71.39 -25.3 62.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.35 -20.92 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.02 -49.74 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -36.82 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.603 ' CD2' ' CD1' ' A' ' 85' ' ' ILE . 30.6 m-85 -105.44 -19.19 13.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.33 73.08 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.5 m-85 -139.56 -172.26 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -138.13 84.12 2.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.513 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 6.2 mt -89.35 118.64 69.29 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.794 1.283 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.68 30.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -24.5 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -69.18 -24.63 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 70' ' ' ILE . 2.0 m-20 -96.36 -50.32 4.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -50.21 -33.36 19.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.16 -32.87 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -16.96 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 25.5 mt -90.59 120.1 31.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.412 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 23.1 mmt -125.33 -38.94 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.422 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -105.84 164.97 13.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.816 1.293 . . . . 0.0 108.245 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.3 Cg_endo -69.75 -39.25 6.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.613 2.209 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.52 -31.5 72.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -34.35 73.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 84' ' ' TYR . 55.9 mt -73.78 -50.74 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.52 ' CG1' ' CD1' ' A' ' 13' ' ' LEU . 89.3 t -43.5 -43.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -56.45 -44.32 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.087 . . . . 0.0 109.225 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.513 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 38.8 t80 -64.79 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.603 ' CD1' ' CD2' ' A' ' 63' ' ' PHE . 16.5 mm -73.52 -59.56 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.68 -45.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.01 -50.81 63.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.496 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mmtt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.56 -31.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.05 -57.05 5.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.472 ' CG2' HG12 ' A' ' 82' ' ' VAL . 27.8 mt -42.89 -56.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.416 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 8.2 tt0 -48.68 -67.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.4 t0 -42.16 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 5.2 mpt_? -39.05 -60.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.446 HG12 ' CD2' ' A' ' 21' ' ' LEU . 4.5 t -39.56 -44.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -77.42 -56.88 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -38.82 -47.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.436 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 29.0 t -63.06 -46.46 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 55' ' ' ILE . 59.3 mt -56.16 -41.46 75.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -61.06 -50.73 72.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 mt -41.71 -31.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.71 97.03 6.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.7 -36.31 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.16 -33.6 41.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.6 mt -102.96 134.09 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.32 138.32 28.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.812 1.292 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 -47.78 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -25.6 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -88.81 -36.13 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 24' ' ' LEU . 2.8 tp -57.59 156.67 7.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 174.41 146.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.5 -41.52 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -98.99 49.12 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.065 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.58 98.69 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 25.9 t-80 -58.48 155.98 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 10.8 m-85 -90.8 -15.43 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.437 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -122.21 -46.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 17.8 mttt -67.84 -13.52 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.74 -81.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -43.66 -40.18 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.87 0.96 89.08 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.442 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 3.9 mt -50.13 157.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 56.6 p30 -96.74 164.78 12.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -45.7 -39.88 8.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.912 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.4 mt -47.18 -33.37 5.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.442 ' OD2' ' CD1' ' A' ' 47' ' ' LEU . 8.1 t0 -79.59 -34.75 40.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . 20.3 tm0? -57.32 -50.16 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.26 -46.88 94.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -60.14 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.466 HG12 ' CD2' ' A' ' 24' ' ' LEU . 9.6 mt -45.58 -57.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.419 HG13 ' NE2' ' A' ' 52' ' ' GLN . 14.3 mm -49.2 -60.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.0 mtt -46.64 -39.68 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -54.72 -44.14 73.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.7 mmt -72.04 -24.92 61.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.37 -22.69 59.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -99.57 -47.47 5.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -53.19 -42.81 66.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.539 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 87.5 m-85 -109.71 11.5 24.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.17 65.95 1.49 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 6.0 m-85 -123.75 -175.62 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 0.758 . . . . 0.0 111.024 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -144.79 82.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 84' ' ' TYR . 8.4 mt -93.19 121.91 64.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.784 1.278 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 163.96 36.43 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.67 -25.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' CB ' HG21 ' A' ' 67' ' ' ILE . 68.4 m-20 -96.28 -31.8 12.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -72.31 -37.68 68.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -59.0 -32.16 69.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -79.37 -26.51 42.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 51.5 mt -83.02 115.61 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 mmt -133.57 16.45 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.418 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -158.6 164.95 19.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 122.891 1.329 . . . . 0.0 108.214 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.576 ' HD3' ' CZ ' ' A' ' 41' ' ' PHE . 52.6 Cg_endo -69.86 -49.6 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.623 2.216 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -51.95 -49.3 63.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 4.0 mt-10 -45.54 -40.06 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.2 mt -68.1 -48.57 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 16' ' ' ILE . 98.5 t -46.58 -44.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.55 -39.8 95.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE1' HG12 ' A' ' 67' ' ' ILE . 9.1 t80 -65.46 -36.74 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 63' ' ' PHE . 2.2 mm -71.75 -56.19 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.75 -51.5 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.79 -53.6 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.236 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -38.56 -30.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -75.71 -54.33 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -46.41 -58.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.21 -61.05 1.94 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.74 -54.77 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 15' ' ' GLY . 10.2 mpt_? -51.59 -56.52 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 82' ' ' VAL . 9.4 t -42.52 -40.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -79.25 -60.7 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -42.55 -45.39 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 58' ' ' ALA . 9.9 t -65.72 -48.23 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 55' ' ' ILE . 51.1 mt -60.72 -30.85 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -65.66 -49.99 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.2 mt -41.6 -33.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.4 t80 -76.29 100.56 5.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.27 -36.48 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 13.9 mtpt -54.73 -36.5 64.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.457 HD13 ' CD1' ' A' ' 55' ' ' ILE . 24.1 mt -93.17 115.15 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 137.18 66.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.84 1.305 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -46.54 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -15.9 13.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -105.4 -39.72 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 36' ' ' SER . 0.8 OUTLIER -44.28 127.22 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -153.14 146.76 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.428 ' CG2' ' HB2' ' A' ' 79' ' ' GLN . 10.5 p -56.34 -30.14 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 7.9 p-10 -112.01 44.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.2 125.06 44.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.438 ' CG ' ' H ' ' A' ' 41' ' ' PHE . 24.1 t-80 -63.38 -167.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.652 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 76' ' ' MET . 22.0 m-85 -130.64 -39.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -98.0 -16.03 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -93.05 -76.2 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -78.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 mt -45.18 -53.85 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.46 43.64 5.16 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 4.3 mt -93.54 162.79 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.06 172.56 8.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 69.6 m -55.7 -41.91 74.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -47.08 -40.75 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.408 1.068 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.486 ' OD2' ' CD1' ' A' ' 47' ' ' LEU . 6.6 t70 -70.77 -32.4 69.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.3 tm0? -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.7 t -51.41 -50.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.77 -60.01 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.464 HG12 ' CD2' ' A' ' 24' ' ' LEU . 20.6 mt -48.57 -39.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 75' ' ' LEU . 19.8 mm -65.9 -60.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -46.29 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -43.52 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.7 mmt -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.2 -23.16 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.54 -47.31 5.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -52.8 -40.01 62.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CD2' HD12 ' A' ' 85' ' ' ILE . 49.4 m-85 -103.14 -20.27 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.48 62.67 2.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CE1' ' HG3' ' A' ' 88' ' ' LYS . 13.3 m-85 -126.89 -178.93 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.754 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -131.65 81.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.481 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 7.2 mt -89.05 115.86 64.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.832 1.301 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -179.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -24.31 54.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -22.11 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -98.84 -57.15 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -44.81 -42.91 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -58.61 -38.57 78.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -73.83 -20.85 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 56' ' ' ILE . 42.0 mt -83.45 123.92 30.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.602 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 20.0 mmt -126.01 -39.94 2.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.505 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -110.99 168.54 7.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.813 1.292 . . . . 0.0 108.223 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.505 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 54.0 Cg_endo -69.74 -35.06 13.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.428 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 33.6 tp60 -64.66 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.87 -38.92 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 84' ' ' TYR . 15.1 mt -68.13 -51.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.465 HG23 ' CG2' ' A' ' 20' ' ' VAL . 91.5 t -44.47 -43.01 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -44.97 80.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.481 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.4 t80 -65.86 -34.6 78.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.558 HD12 ' CD2' ' A' ' 63' ' ' PHE . 15.0 mm -70.26 -59.2 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.1 -48.4 2.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -50.72 -52.38 40.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.54 -47.59 7.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.0 -40.36 88.76 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.1 mt -59.44 -54.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 109.219 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' VAL . 8.0 tt0 -52.52 -65.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -40.59 -45.97 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.471 ' CG2' HG23 ' A' ' 82' ' ' VAL . 41.3 t -51.95 -37.09 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 21' ' ' LEU . 1.2 mt -81.62 -45.9 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -53.02 -51.08 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.505 ' CG1' ' CB ' ' A' ' 58' ' ' ALA . 53.4 t -63.92 -42.63 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 17.8 mt -63.38 -31.23 72.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 27' ' ' TYR . 1.9 mttp -68.85 -49.28 59.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.3 -28.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' N ' ' C ' ' A' ' 25' ' ' LYS . 1.6 t80 -81.03 100.47 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.33 -38.12 40.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -52.94 -35.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.51 109.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.86 137.51 90.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.768 1.27 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -47.11 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.4 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -17.29 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -104.49 -35.42 7.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 24' ' ' LEU . 1.1 tt -49.41 98.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -135.39 134.65 39.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.402 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.5 m -41.02 -50.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -86.08 44.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.393 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -132.63 128.75 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -78.36 165.07 24.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.44 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 61.0 m-85 -91.17 10.57 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtt -149.12 -51.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.06 -50.33 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 5.1 t0 -118.54 -60.66 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 44.7 mt -39.63 -56.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.01 73.78 1.13 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 51' ' ' ASP . 9.1 m-20 -123.47 154.1 39.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -46.58 -39.04 10.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.0 -33.57 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' ASP . 39.0 m-20 -82.94 -23.41 33.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.1 tm0? -65.5 -36.83 85.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.9 t -67.72 -37.06 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -57.19 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 mt -41.8 -53.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.0 mm -55.12 -56.31 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mtm -44.91 -42.97 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.505 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -53.04 -44.81 67.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.9 mmt -73.76 -19.31 60.81 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -80.31 -22.72 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -97.77 -48.67 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.471 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 5.3 tp10 -52.08 -42.9 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.527 ' CD2' HD12 ' A' ' 85' ' ' ILE . 62.9 m-85 -110.51 15.42 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 69.36 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.8 m-85 -127.62 179.48 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 5.6 pt-20 -136.5 92.62 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.515 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 12.3 mt -102.94 119.38 55.69 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 122.867 1.318 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.75 33.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -24.42 67.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.03 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 70' ' ' ILE . 42.8 m-20 -97.06 -28.08 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.418 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -75.29 -37.51 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.407 ' O ' ' CE ' ' A' ' 76' ' ' MET . 16.6 pt-20 -61.37 -32.72 72.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -24.02 51.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 29.0 mt -87.55 114.35 24.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.407 ' CE ' ' O ' ' A' ' 73' ' ' GLU . 3.5 mmt -130.64 14.34 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.6 163.16 24.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 122.801 1.286 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.78 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -55.6 -40.85 72.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.416 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 5.0 mt-10 -50.72 -39.81 52.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' TYR . 25.5 mt -68.41 -50.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 20' ' ' VAL . 96.7 t -44.12 -45.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -56.02 -43.13 77.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.218 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.515 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 20.7 t80 -64.85 -31.67 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.527 HD12 ' CD2' ' A' ' 63' ' ' PHE . 4.7 mm -79.42 -63.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.85 -42.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.67 -47.65 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.45 -37.5 57.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.3 -36.35 27.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 85' ' ' ILE . 39.6 mt -62.89 -50.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.02 -64.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.36 -43.75 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 109.185 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -64.44 -48.83 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 27.1 t -47.08 -36.48 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' LYS . 1.9 mt -85.28 -48.28 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -46.06 -51.65 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 97.5 t -62.9 -44.55 99.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD22 ' CG2' ' A' ' 55' ' ' ILE . 49.8 mt -61.31 -30.56 70.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mttt -73.51 -35.14 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.8 mt -57.76 -30.28 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.2 t80 -81.06 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.0 -40.83 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.98 -37.17 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.8 mt -89.31 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.43 136.16 20.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.806 1.288 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -47.57 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -30.69 70.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -88.4 -35.28 17.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -58.58 145.14 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -169.88 156.21 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.523 ' CG2' ' CG ' ' A' ' 79' ' ' GLN . 5.7 p -49.18 -23.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -126.58 59.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 36' ' ' SER . 17.5 p -124.18 93.53 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 42' ' ' MET . 5.5 t-80 -55.67 119.0 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 2.4 m-85 -70.57 -11.55 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.576 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 22.4 tpp -101.62 -32.96 10.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -100.79 -82.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -38.74 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 ' CD1' HD13 ' A' ' 47' ' ' LEU . 16.8 mt -62.26 -57.41 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.99 14.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 45' ' ' LEU . 5.5 mt -76.06 174.08 10.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.87 156.43 18.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m -48.31 -41.58 28.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mt -51.39 -30.82 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -88.96 -25.27 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 3.1 tm0? -66.92 -44.92 79.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.28 -40.9 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -58.28 8.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.429 ' CG2' HD22 ' A' ' 24' ' ' LEU . 5.0 mt -43.04 -51.38 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.45 -55.73 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mmt -52.89 -25.56 12.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -67.25 -39.39 86.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.2 mmt -77.4 -27.05 52.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' CA ' ' A' ' 64' ' ' GLY . 33.6 mt-10 -71.73 -28.62 63.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.01 -43.51 13.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.366 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 40.3 m-85 -104.91 0.73 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 52.83 45.83 60.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 63' ' ' PHE . 12.1 m-30 -102.93 -177.67 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.94 84.31 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.23 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.49 105.09 31.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.747 1.26 . . . . 0.0 109.35 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 156.11 64.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.31 -33.3 41.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.35 -37.66 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.99 -12.66 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -85.61 -51.03 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' A' ' 76' ' ' MET . 19.5 pt-20 -52.27 -26.6 12.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -78.54 -25.9 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 27.7 mt -85.58 112.9 21.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.438 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 7.0 mmt -115.62 -23.53 8.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.85 163.31 33.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.707 1.241 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 41' ' ' PHE . 54.4 Cg_endo -69.8 -46.69 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.523 ' CG ' ' CG2' ' A' ' 37' ' ' VAL . 4.3 tm0? -49.49 -42.67 44.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -53.07 -36.65 60.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 17.7 mt -69.12 -46.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.31 -40.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 5.3 t80 -60.2 -63.51 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.476 HG22 ' CD1' ' A' ' 16' ' ' ILE . 21.6 mm -40.11 -59.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.428 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -52.11 -62.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -45.95 -31.87 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.588 ' HG2' ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.461 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.64 71.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.8 -32.22 30.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.46 HG22 ' CG2' ' A' ' 85' ' ' ILE . 86.6 mt -63.94 -52.68 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' VAL . 4.1 tt0 -54.97 -65.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -40.34 -46.71 2.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -60.38 -48.12 83.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 82' ' ' VAL . 4.6 t -52.24 -52.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -65.78 -44.54 85.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -54.1 -58.91 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 62' ' ' GLU . 54.3 t -51.92 -36.59 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 30' ' ' ILE . 40.1 mt -69.69 -45.57 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -63.43 -31.52 72.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.381 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.7 mt -65.99 -15.57 63.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' LYS . 27.2 t80 -73.61 -12.36 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 66.62 -68.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -46.1 -31.77 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.409 ' CD1' HD22 ' A' ' 24' ' ' LEU . 84.8 mt -84.68 102.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.3 135.48 88.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.8 1.286 . . . . 0.0 109.232 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.734 2.289 . . . . 0.0 112.275 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -37.51 73.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -81.1 -40.91 23.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tp -54.02 153.63 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -179.13 142.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -39.92 -55.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -86.84 45.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' SER . 15.9 p -118.86 133.23 55.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -85.54 156.91 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 64.7 m-85 -90.45 11.91 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.3 mtt -150.95 -46.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -49.45 -52.34 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -111.2 -64.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 94.0 mt -39.56 -68.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.26 63.41 1.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.8 mt -117.99 157.58 26.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.48 163.08 15.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -53.65 -48.29 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.968 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.51 -22.2 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.5 -29.1 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.199 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 5.6 tm0? -75.75 -37.95 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 6.7 p -64.88 -50.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -60.6 -39.3 87.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 110.211 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 58' ' ' ALA . 25.8 mt -57.43 -63.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 72' ' ' ALA . 39.2 mm -40.81 -50.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.37 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 55' ' ' ILE . . . -48.09 -40.43 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.3 mmt -75.04 -35.04 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' ' CA ' ' A' ' 64' ' ' GLY . 26.4 mt-10 -64.3 -25.21 67.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -92.5 -50.22 5.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 2.2 tp10 -57.05 -26.54 60.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.638 ' CD2' ' CD1' ' A' ' 85' ' ' ILE . 27.1 m-85 -112.06 -20.88 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 71.2 69.27 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE1' ' HE3' ' A' ' 88' ' ' LYS . 15.1 m-85 -138.16 176.01 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -124.48 86.72 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.508 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 16.3 mt -93.58 112.92 58.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 122.766 1.269 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 159.8 52.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -26.34 62.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.4 -25.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 70' ' ' ILE . 19.1 m-20 -100.81 -50.83 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . . . -49.19 -31.17 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -73.79 -37.98 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -16.09 63.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.45 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 32.3 mt -91.83 110.17 21.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.42 ' HE1' ' NE2' ' A' ' 52' ' ' GLN . 4.0 mmt -129.12 19.99 5.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.31 160.54 26.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.729 1.252 . . . . 0.0 108.332 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -48.87 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -54.66 -43.88 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.04 -41.96 60.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' TYR . 19.9 mt -66.32 -51.52 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 20' ' ' VAL . 91.4 t -42.91 -44.87 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.15 -43.53 82.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 28.5 t80 -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.638 ' CD1' ' CD2' ' A' ' 63' ' ' PHE . 5.9 mm -83.74 -62.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.461 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.12 -42.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.99 -50.37 68.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 65' ' ' PHE . 5.6 mmtt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 4.6 tt0 -38.9 -58.23 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.77 -46.32 92.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.473 HG21 ' CG2' ' A' ' 85' ' ' ILE . 46.5 mt -51.48 -55.35 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' VAL . 10.1 tt0 -51.62 -68.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . 20.7 t0 -39.06 -45.58 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -62.6 -48.0 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLN . 19.3 t -49.74 -30.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' LYS . 1.4 mt -91.51 -40.78 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -54.25 -47.84 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.45 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 74.3 t -67.43 -44.4 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 55' ' ' ILE . 61.7 mt -63.5 -26.01 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HG3' ' CD2' ' A' ' 35' ' ' LEU . 15.2 mttt -78.68 -45.89 20.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.4 mt -49.78 -26.22 3.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -82.43 103.36 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -52.35 -36.4 53.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -33.85 60.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 47' ' ' LEU . 66.0 mt -99.45 135.38 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 141.12 22.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.792 1.282 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -46.24 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -44.67 79.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' CD2' ' HG3' ' A' ' 25' ' ' LYS . 2.2 tp -53.4 140.11 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -164.96 146.5 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 t -48.36 -41.08 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -108.11 53.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 36' ' ' SER . 98.4 p -115.46 162.48 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 15.0 t-80 -110.58 147.24 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 60.1 m-85 -86.75 8.64 21.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.542 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 30.3 mtt -140.65 -68.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 2.7 mmtt -40.25 -69.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.83 -76.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 88.1 mt -40.01 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.71 50.36 1.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.417 ' CD1' HG12 ' A' ' 30' ' ' ILE . 15.5 mt -97.32 -172.95 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -122.48 158.36 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.9 p -52.5 -43.44 65.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.14 -30.55 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.49 -26.92 25.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.7 tm0? -62.39 -38.39 89.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.54 -32.13 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.2 -53.67 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.453 HG12 ' CD2' ' A' ' 24' ' ' LEU . 7.9 mt -47.77 -60.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 75' ' ' LEU . 16.2 mm -47.17 -63.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -37.52 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -54.84 -43.52 73.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.82 -47.89 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -53.65 -25.68 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -31.0 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.522 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 53.1 m-85 -111.66 -28.74 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 56.09 2.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 27.5 m-85 -128.03 -171.7 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -140.5 91.59 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.512 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 62.3 mt -92.06 120.28 67.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.817 1.294 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 173.0 11.6 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.389 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -24.53 60.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -24.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.82 -46.19 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -52.99 -29.14 27.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.4 -35.45 58.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.222 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -12.53 60.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.449 ' CD1' HD12 ' A' ' 56' ' ' ILE . 28.4 mt -94.36 109.81 21.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.5 mmt -130.04 14.03 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.9 158.6 31.75 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 122.763 1.268 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.434 ' CB ' ' CG1' ' A' ' 20' ' ' VAL . 53.2 Cg_endo -69.8 -38.24 7.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -63.96 -33.77 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.22 -27.57 69.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 84' ' ' TYR . 15.4 mt -80.81 -49.5 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.404 ' CG2' HG23 ' A' ' 20' ' ' VAL . 87.2 t -44.93 -40.8 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.01 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.512 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.1 t80 -64.32 -36.57 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.473 ' CG2' HG21 ' A' ' 16' ' ' ILE . 19.5 mm -74.13 -55.18 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.435 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -49.91 -33.93 18.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.49 -38.58 91.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.285 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.41 -42.26 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.74 -44.36 32.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.447 HG23 ' CG2' ' A' ' 85' ' ' ILE . 19.8 mt -57.68 -53.67 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -51.64 -65.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -43.67 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.431 ' NH1' ' OE2' ' A' ' 62' ' ' GLU . 23.6 mmt85 -66.33 -47.3 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 82' ' ' VAL . 20.7 t -48.08 -38.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -78.95 -46.95 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -51.08 -55.71 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 45.1 t -58.06 -49.44 81.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 49.5 mt -57.05 -40.61 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -62.05 -51.38 68.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.1 mt -42.59 -37.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.536 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 4.5 t80 -73.76 99.21 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.94 -40.5 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.23 -37.73 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.473 ' CG1' HD12 ' A' ' 47' ' ' LEU . 43.8 mt -94.79 107.54 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.43 140.23 78.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.829 1.3 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.89 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -28.66 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -96.82 -44.11 7.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.72 117.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.423 1.077 . . . . 0.0 109.384 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -156.95 148.12 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.476 ' CG1' ' OE1' ' A' ' 79' ' ' GLN . 10.5 t -42.98 -42.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -108.34 48.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . 98.7 p -108.5 114.78 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 18.3 t-80 -73.2 137.58 45.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 21.4 m-85 -87.23 15.62 6.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.474 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -138.72 -45.79 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -75.65 -70.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 3.8 t0 -66.95 -89.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 30' ' ' ILE . 4.4 mp -38.83 -65.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.98 64.04 1.19 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.473 HD12 ' CG1' ' A' ' 30' ' ' ILE . 16.1 mt -105.81 179.0 4.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.04 176.67 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -66.7 -45.54 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mt -52.93 -26.11 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.2 -24.49 32.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.391 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 35.3 tp60 -74.78 -38.12 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 54' ' ' GLU . 7.6 p -65.15 -30.06 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -79.3 -55.84 4.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 30' ' ' ILE . 7.2 mt -43.08 -50.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.5 mm -55.56 -56.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 mmt -46.17 -37.79 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.47 98.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.6 mmt -76.44 -23.45 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -74.62 -21.05 59.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -94.6 -50.87 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -56.91 -34.69 68.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.561 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 19.7 m-85 -106.06 -5.54 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.57 50.48 48.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 63' ' ' PHE . 9.5 m-85 -113.59 -177.84 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -134.09 83.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 84' ' ' TYR . 10.5 mt -88.67 121.55 69.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 122.818 1.294 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.92 10.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.38 58.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.14 -25.72 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 1.7 t70 -97.43 -50.14 4.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -49.45 -34.44 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.65 -29.37 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -81.76 -17.48 47.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.461 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.8 mt -89.53 116.86 28.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 10.1 mmt -134.62 15.41 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.22 158.97 31.76 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.809 1.29 . . . . 0.0 108.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.442 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 54.9 Cg_endo -69.66 -41.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.415 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.476 ' OE1' ' CG1' ' A' ' 37' ' ' VAL . 33.8 tp60 -59.89 -36.96 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.21 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' TYR . 7.1 mt -63.15 -54.33 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 20' ' ' VAL . 86.4 t -42.98 -44.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -55.57 -44.33 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 67' ' ' ILE . 34.4 t80 -65.49 -34.64 78.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 63' ' ' PHE . 17.0 mm -74.56 -63.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -41.73 -47.62 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -44.52 -51.15 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -41.87 7.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.35 -40.16 34.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.1 mt -56.1 -55.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.736 . . . . 0.0 109.247 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.03 -64.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -41.92 -41.59 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.6 -49.13 64.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.474 ' CG2' HG21 ' A' ' 82' ' ' VAL . 3.7 t -47.21 -45.75 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -55.49 7.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -42.06 -55.55 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 15.6 t -55.68 -45.31 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.4 ' CB ' HD12 ' A' ' 35' ' ' LEU . 77.6 mt -62.49 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -55.55 -45.87 77.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.8 mt -46.97 -29.72 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.32 100.53 8.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -47.12 -39.13 12.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -52.22 -36.87 53.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.6 mt -94.91 113.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.74 139.21 58.09 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 122.76 1.267 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.55 2.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -16.61 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -107.24 -41.58 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 24' ' ' LEU . 1.4 tt -40.28 141.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.452 ' OG ' ' CB ' ' A' ' 39' ' ' SER . 1.4 p -169.2 141.94 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.488 ' CG2' ' OE1' ' A' ' 79' ' ' GLN . 3.7 p -51.16 -20.28 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 39' ' ' SER . 56.6 m-20 -95.9 -44.05 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -33.19 147.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 0.9 OUTLIER -112.24 137.7 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.532 ' N ' ' ND1' ' A' ' 40' ' ' HIS . 6.2 m-30 -61.04 -12.99 13.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 2.0 mtt -126.49 -62.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 4.4 tttt -36.07 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.23 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -77.21 -75.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 84.7 mt -38.52 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.44 57.46 1.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.51 163.97 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -89.11 148.8 23.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -45.88 -44.63 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.68 -37.96 19.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.1 -25.82 31.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.6 tm0? -63.77 -41.23 98.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.55 -41.1 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -51.99 65.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.9 mt -45.7 -53.19 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.247 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.479 ' CG2' ' HB1' ' A' ' 72' ' ' ALA . 42.2 mm -57.57 -55.94 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mtt -41.62 -43.54 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.42 72.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.36 -36.17 83.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.448 ' O ' ' CA ' ' A' ' 64' ' ' GLY . 52.0 mt-10 -60.32 -34.7 74.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 110.339 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.68 -35.99 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 1.3 tm-20 -53.55 -34.24 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 85' ' ' ILE . 91.5 m-85 -115.94 -29.2 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 84.77 56.2 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 63' ' ' PHE . 18.0 m-30 -114.38 -5.21 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.6 mt-10 37.56 36.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.562 HG12 ' CE1' ' A' ' 84' ' ' TYR . 4.6 mt -39.63 136.0 1.19 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.739 1.257 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -179.07 2.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.38 -24.71 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -64.22 -25.37 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' LYS . 3.0 m-20 -99.97 -52.65 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.479 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -47.61 -29.09 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -35.23 44.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -70.08 -15.87 63.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.428 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 25.8 mt -90.2 134.91 33.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 15.7 mmt -129.64 -41.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.502 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -108.04 168.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.845 1.307 . . . . 0.0 108.321 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.502 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.8 Cg_endo -69.68 -30.62 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.488 ' OE1' ' CG2' ' A' ' 37' ' ' VAL . 61.6 tp60 -71.42 -33.28 69.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.216 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -56.02 -43.16 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 84' ' ' TYR . 4.6 mt -64.17 -52.82 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.382 1.051 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' A' ' 20' ' ' VAL . 97.5 t -42.6 -46.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.97 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE1' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -68.39 -34.54 76.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.57 HG23 ' CZ ' ' A' ' 63' ' ' PHE . 11.5 mm -68.02 -63.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.76 -34.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.12 -48.9 79.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' ILE . 15.5 mmtt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.47 ' CD1' ' CG1' ' A' ' 82' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -43.36 -29.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.32 -42.88 17.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' LEU . 44.1 mt -57.51 -56.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -52.9 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -47.37 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.1 mmt-85 -60.22 -52.43 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.5 t -47.48 -57.05 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -62.47 -51.6 66.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.612 1.195 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -48.15 -48.7 34.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.53 -41.48 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 39.3 mt -64.17 -34.31 77.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -64.42 -47.99 77.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.1 mt -47.51 -28.22 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 3.0 t80 -83.29 101.42 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.18 -38.66 12.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.3 mt -97.66 133.35 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -98.14 142.01 23.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.737 1.256 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -46.0 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.389 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -42.0 99.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -77.21 -31.4 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 2.2 tp -55.09 137.64 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.96 135.9 11.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.45 -26.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -122.85 53.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.99 132.43 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 43.7 t-80 -76.36 151.3 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 76' ' ' MET . 34.3 m-85 -87.66 2.24 51.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.437 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 54.8 mtt -139.67 -51.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.39 -59.68 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.9 -66.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 90.9 mt -41.35 -83.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.42 54.58 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.417 1.073 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -102.82 171.39 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.598 0.822 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' OD2' ' A' ' 51' ' ' ASP . 15.3 t70 -102.86 166.63 10.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 p -48.34 -38.49 19.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.66 -18.67 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.455 ' OD1' ' CD1' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -78.23 -36.46 47.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' CG1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.87 -47.49 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 57' ' ' MET . 7.9 p -60.2 -35.24 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.83 -51.26 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.455 ' CD1' ' OD1' ' A' ' 51' ' ' ASP . 24.7 mt -48.75 -52.95 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' OE1' ' A' ' 52' ' ' GLN . 25.1 mm -63.66 -51.8 65.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 2.8 mmt -50.75 -22.81 2.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.23 -44.81 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.4 mmt -69.09 -24.38 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.48 -20.53 60.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.87 -45.52 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -43.17 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.462 ' CD2' HD11 ' A' ' 85' ' ' ILE . 75.1 m-85 -112.55 15.56 20.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 59.98 1.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -110.98 -176.93 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.01 77.62 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.561 HG12 ' CE1' ' A' ' 84' ' ' TYR . 4.9 mt -93.06 125.71 53.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.821 1.296 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 166.78 26.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.28 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -24.35 66.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.63 -26.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' N ' HG13 ' A' ' 70' ' ' ILE . 89.1 m-20 -99.99 -18.75 16.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 56' ' ' ILE . . . -86.6 -50.6 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' CE ' ' A' ' 76' ' ' MET . 7.2 pt-20 -57.95 -19.25 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.56 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 35.2 mt -82.42 122.7 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 15.5 mmt -134.9 8.28 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.416 ' CA ' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -150.0 164.36 21.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.752 1.263 . . . . 0.0 108.357 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.459 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.78 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -58.79 -37.97 77.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -55.03 -24.0 22.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.7 mt -85.43 -47.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.47 ' CG1' ' CD1' ' A' ' 13' ' ' LEU . 83.1 t -46.83 -48.71 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.62 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.561 ' CE1' HG12 ' A' ' 67' ' ' ILE . 6.2 t80 -67.74 -36.48 80.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.462 HD11 ' CD2' ' A' ' 63' ' ' PHE . 2.8 mm -73.89 -58.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.6 -53.01 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -57.54 -54.11 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.451 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.52 -46.53 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.86 -38.68 48.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.21 -54.17 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -54.22 -65.48 0.56 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -41.16 -45.5 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.65 -47.33 85.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.445 ' CG2' HG21 ' A' ' 82' ' ' VAL . 23.6 t -52.15 -39.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.49 -41.58 32.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -58.7 -51.34 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 46.3 t -62.97 -44.27 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 63.0 mt -62.97 -29.2 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.223 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -43.57 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.6 mt -45.56 -36.37 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CD2' HD12 ' A' ' 30' ' ' ILE . 1.1 t80 -73.9 99.5 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -47.38 -38.32 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 6.5 mttt -53.29 -37.02 61.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.563 HD12 ' CD2' ' A' ' 27' ' ' TYR . 11.6 mt -91.58 106.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.85 136.21 92.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.827 1.299 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.288 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -18.57 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.236 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -101.71 -40.47 6.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.8 117.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -155.39 135.8 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.414 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.6 m -40.93 -40.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -95.62 49.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 59.7 m -136.9 124.38 22.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.427 ' CG ' ' H ' ' A' ' 41' ' ' PHE . 16.8 t-80 -67.72 -170.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 22.9 m-85 -124.62 -34.52 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.38 -25.63 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.81 -78.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.21 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.53 -78.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 40' ' ' HIS . 38.8 mt -41.46 -67.59 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.54 43.25 2.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 29' ' ' LYS . 8.3 mt -86.97 168.37 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.96 171.5 9.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 m -67.4 -46.37 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 3.0 mt -52.42 -27.72 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -81.41 -25.07 36.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 7.5 tm0? -73.18 -27.31 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 9.3 p -77.4 -27.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' HG11 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -78.2 -49.26 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.8 mt -47.59 -53.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.462 ' CD1' HD12 ' A' ' 75' ' ' LEU . 9.0 mm -49.98 -61.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mmt -44.2 -45.89 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.45 -41.66 14.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.1 mmt -70.92 -49.76 42.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' ' CA ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -56.24 -24.42 42.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -89.51 -39.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 8.5 tm-20 -70.75 -24.59 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.187 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.559 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 57.2 m-85 -111.57 -30.01 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 87.29 32.08 14.93 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 19.1 m-85 -100.17 -173.53 2.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -142.3 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 84' ' ' TYR . 47.3 mt -93.85 116.7 66.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.859 1.314 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 159.53 53.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.35 -24.61 56.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.062 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.14 -25.29 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.387 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 70' ' ' ILE . 80.9 m-20 -101.15 -31.83 10.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.93 -31.06 70.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.248 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -72.39 -33.27 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -11.53 60.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 56' ' ' ILE . 16.5 mt -98.51 119.26 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.8 mmt -130.6 4.84 4.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.408 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -149.16 164.75 19.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 122.82 1.295 . . . . 0.0 108.265 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.85 -50.18 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -56.61 -43.62 80.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -31.29 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' TYR . 21.9 mt -77.96 -49.59 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.445 HG21 ' CG2' ' A' ' 20' ' ' VAL . 85.8 t -44.82 -40.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -43.27 94.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.566 ' CE1' HG12 ' A' ' 67' ' ' ILE . 28.3 t80 -63.83 -29.07 70.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.551 HD12 ' CD2' ' A' ' 63' ' ' PHE . 9.6 mm -80.62 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.451 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.13 -47.36 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -57.45 -50.21 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t 51.93 85.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 0.793 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 t -90.77 160.19 15.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.02 -94.38 0.17 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -163.92 145.8 9.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -165.36 102.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.05 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.85 172.9 32.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.11 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttm -126.0 88.42 54.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 122.822 1.296 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -47.95 168.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.95 175.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.67 112.85 25.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.9 p -139.82 165.26 27.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 110.373 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' CD2' HD12 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -48.37 -41.21 28.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.85 -22.75 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.34 -36.87 8.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.468 HD12 ' CD2' ' A' ' 13' ' ' LEU . 88.9 mt -59.84 -59.04 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.725 . . . . 0.0 109.37 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' VAL . 9.8 tt0 -52.87 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -40.41 -45.6 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -63.51 -44.87 93.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' GLN . 20.7 t -54.32 -41.13 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -78.76 -50.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -48.31 -49.61 33.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' CG2' ' HG2' ' A' ' 62' ' ' GLU . 25.4 t -61.78 -44.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.0 mt -64.62 -31.5 72.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' LEU . 16.1 mttt -69.14 -47.65 64.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.2 mt -45.18 -26.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -84.11 98.94 10.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -49.43 -39.48 33.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.56 -36.12 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 49.9 mt -97.08 119.27 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.99 140.5 50.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.739 1.256 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.58 2.187 . . . . 0.0 112.357 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -51.78 55.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.285 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -68.25 -44.35 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.76 141.93 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.375 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.7 m -165.05 143.17 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 79' ' ' GLN . 7.1 p -45.85 -28.77 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.95 55.88 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.71 118.44 21.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.521 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 27.6 t-80 -59.96 175.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.542 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.452 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 16.8 m-85 -116.13 -25.4 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.8 mtt -114.81 -24.59 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.521 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 2.7 mtpt -87.87 -29.46 20.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.175 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.68 -72.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.0 mt -55.38 -53.05 61.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 86.19 42.32 6.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 13.4 mt -85.07 -177.53 6.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -114.86 161.09 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -50.66 -42.13 56.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.82 -26.12 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.08 -28.16 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 34.6 tp60 -66.41 -43.3 86.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.0 -37.42 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.2 mt -42.01 -51.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.402 ' CG2' ' HB2' ' A' ' 72' ' ' ALA . 23.1 mm -57.77 -60.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -29.83 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.84 -42.83 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.1 mmt -73.18 -34.06 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.409 ' O ' ' CA ' ' A' ' 64' ' ' GLY . 37.0 mt-10 -64.09 -25.56 68.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -94.31 -51.48 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 3.1 tp10 -52.09 -27.35 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.637 ' CD2' ' CD1' ' A' ' 85' ' ' ILE . 36.8 m-85 -112.93 -27.12 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 79.07 69.67 1.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 18.8 m-85 -138.06 -175.23 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 0.726 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 2.5 pt-20 -133.41 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.524 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 10.7 mt -92.48 116.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.863 1.316 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 159.19 54.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -24.82 63.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.4 -25.63 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -96.85 -52.45 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -48.91 -31.33 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.237 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.33 -31.87 60.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.5 -14.19 59.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 22.7 mt -94.53 115.14 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.5 mmt -128.6 14.46 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.411 ' HA ' ' CZ ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -155.57 159.25 31.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.825 1.298 . . . . 0.0 108.27 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HD3' ' CE1' ' A' ' 41' ' ' PHE . 53.6 Cg_endo -69.77 -36.21 11.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.437 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 61.1 tp60 -66.83 -32.43 73.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.409 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.03 -29.83 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' TYR . 10.8 mt -78.65 -49.96 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 98.1 t -43.51 -43.89 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.74 93.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.3 t80 -64.59 -32.43 74.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.637 ' CD1' ' CD2' ' A' ' 63' ' ' PHE . 7.7 mm -78.27 -58.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.53 -53.24 48.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 7.7 mmtt -51.48 -37.35 48.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.24 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.7 148.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -113.17 33.32 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -88.89 37.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -103.88 150.72 23.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 m -52.63 170.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.055 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 140.14 154.54 6.31 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 122.771 1.206 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.15 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.597 2.198 . . . . 0.0 112.369 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.58 111.63 24.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.49 158.08 18.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 O-C-N 124.55 1.157 . . . . 0.0 110.959 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -171.68 125.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 109.953 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.77 167.22 27.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.41 130.87 29.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.117 . . . . 0.0 111.073 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -165.07 105.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.055 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -126.19 130.15 50.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.93 -155.98 20.86 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 mtp -131.09 78.17 73.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.81 1.291 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.0 162.38 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -47.95 173.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.7 mt -101.28 97.59 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' LEU . 57.1 p -136.17 168.5 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 12' ' ' THR . 0.0 OUTLIER -40.48 -55.34 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.03 -44.87 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.56 35.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.441 ' CG2' ' HB ' ' A' ' 85' ' ' ILE . 77.5 mt -57.57 -53.81 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -53.79 -65.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.35 -41.81 4.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' CG1' ' CB ' ' A' ' 78' ' ' PRO . 11.1 t -51.65 -49.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.498 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -57.26 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -42.92 -46.12 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' A' ' 58' ' ' ALA . 6.1 t -66.17 -48.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.7 mt -57.97 -43.18 86.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' ' 27' ' ' TYR . 11.6 mttt -50.57 -47.46 57.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 41.5 mt -40.18 -29.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 1.8 t80 -81.72 100.04 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.48 -38.41 43.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -52.27 -33.76 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 43.8 mt -97.5 131.26 44.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.05 139.11 21.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.837 1.304 . . . . 0.0 109.267 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -45.75 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -23.13 62.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 12.4 mtpp -93.8 -51.13 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.423 HD22 ' N ' ' A' ' 36' ' ' SER . 4.3 tt -39.42 149.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.45 ' C ' ' N ' ' A' ' 38' ' ' ASN . 0.2 OUTLIER -158.78 129.46 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.054 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' SER . 8.3 p -39.7 -30.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 36' ' ' SER . 8.4 t-20 -121.64 61.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.36 134.03 45.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.56 ' CE1' ' HB3' ' A' ' 76' ' ' MET . 28.8 t-80 -80.0 141.6 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.546 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 72.0 m-85 -80.51 -10.65 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.2 mtt -127.08 -40.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.522 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -91.78 23.93 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -156.81 -68.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 32.4 mt -65.83 -67.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.01 32.85 1.46 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.181 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.66 165.59 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.351 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -97.14 176.91 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.8 m -59.74 -42.36 93.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -47.38 -37.46 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.471 ' OD1' ' CE2' ' A' ' 27' ' ' TYR . 7.5 t70 -73.15 -33.86 65.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.0 tm0? -61.03 -43.12 99.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.41 -47.96 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.32 -54.59 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.464 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 15.4 mt -51.03 -51.54 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.35 -63.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' GLU . 9.8 mtt -40.89 -50.53 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -42.82 -47.59 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.438 ' HE2' ' CG1' ' A' ' 23' ' ' VAL . 19.6 mmt -68.35 -33.78 74.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' MET . 39.3 mt-10 -65.83 -21.0 66.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -100.98 -50.38 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -51.91 -35.68 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CD2' ' CD1' ' A' ' 85' ' ' ILE . 32.5 m-85 -107.67 -20.5 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.59 59.35 3.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.534 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 22.4 m-85 -128.38 167.11 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.68 85.11 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.524 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 22.0 mt -88.79 126.35 59.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.75 1.262 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -179.54 2.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -24.69 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -66.12 -24.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -97.84 -52.23 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -49.53 -27.14 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -80.13 -32.23 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -80.83 -18.27 47.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 32.6 mt -88.15 116.11 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.56 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 10.3 mmt -134.42 14.89 3.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.26 158.23 31.45 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.771 1.272 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.442 ' CB ' ' CG1' ' A' ' 20' ' ' VAL . 54.0 Cg_endo -69.8 -38.46 7.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.607 2.205 . . . . 0.0 112.378 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.4 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 33.2 tp60 -62.62 -33.36 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.82 89.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.334 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 84' ' ' TYR . 8.8 mt -68.32 -52.21 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.418 HG22 ' CG2' ' A' ' 20' ' ' VAL . 87.0 t -42.63 -47.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -43.52 76.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 8.9 t80 -66.75 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.583 ' CD1' ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.36 -57.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.87 -46.62 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.06 -51.25 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 85' ' ' ILE . 10.8 mmtt -57.29 -36.99 71.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? 41.1 81.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -41.79 115.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.7 p -126.8 37.1 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.74 35.32 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -100.81 -53.53 3.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -143.41 121.02 11.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.42 -164.33 36.64 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 122.81 1.228 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 133.46 25.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 m -88.42 169.98 11.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.92 168.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.057 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 111.048 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.14 168.99 11.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 0.788 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -166.73 139.87 3.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.4 136.55 3.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p 176.82 166.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.064 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.42 125.43 17.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.8 157.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.68 140.93 5.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.713 1.244 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.86 169.93 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -48.02 179.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD12 ' CG2' ' A' ' 91' ' ' VAL . 4.1 mt -97.19 108.75 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 15' ' ' GLY . 77.0 p -116.17 174.57 5.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -40.34 -55.69 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -45.62 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -74.91 -33.43 55.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.429 HG21 ' CG2' ' A' ' 85' ' ' ILE . 50.3 mt -65.59 -53.99 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -52.46 -61.29 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -42.26 8.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -66.56 -43.15 85.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 82' ' ' VAL . 4.6 t -54.41 -50.47 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.5 -44.8 73.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -55.67 -50.61 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.458 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 24.5 t -62.22 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 61.8 mt -61.61 -34.05 74.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -68.52 -40.25 80.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.19 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -50.24 -32.7 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.99 -33.63 57.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 10.5 mttp -58.83 -26.59 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' A' ' 55' ' ' ILE . 77.6 mt -101.9 111.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.06 135.52 70.18 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.811 1.291 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -17.76 8.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -104.93 -41.49 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.7 tt -42.06 119.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.69 144.02 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.943 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 p -55.41 -22.3 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -126.95 56.48 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.78 145.08 50.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 16.1 t-80 -88.49 144.04 26.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.424 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 16.8 m-30 -88.2 -3.12 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mtt -118.61 -35.46 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -86.37 -69.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -83.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.2 mt -41.22 -57.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.47 4.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.2 mt -96.72 -176.12 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -113.94 171.99 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.97 -46.38 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 0.0 110.074 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -49.85 -36.21 26.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -77.95 -26.32 48.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' SER . 7.4 tm0? -71.44 -34.93 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 7.5 p -68.99 -27.52 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.453 ' N ' HG11 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -81.21 -37.08 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.448 ' CD1' HD13 ' A' ' 30' ' ' ILE . 31.8 mt -62.02 -51.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.53 -59.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 mmt -43.9 -39.76 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.01 -45.36 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.4 mmt -70.83 -34.15 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -20.79 65.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.74 -52.95 3.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.525 ' OE1' ' CE1' ' A' ' 63' ' ' PHE . 7.2 tm-20 -53.5 -32.43 50.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.546 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 25.3 m-85 -105.7 -24.57 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 52.7 8.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 15.8 m-85 -121.12 -176.63 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -135.4 86.33 2.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.521 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -89.99 125.09 61.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.77 1.272 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.6 16.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.607 2.205 . . . . 0.0 112.322 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.11 -24.52 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.33 -25.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -94.76 -50.23 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -48.19 -32.56 7.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.35 -32.2 54.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' A' ' 80' ' ' GLU . 0.1 OUTLIER -80.62 -11.73 59.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.1 mt -94.58 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 11.6 mmt -131.93 17.06 4.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.51 159.62 30.67 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 122.84 1.305 . . . . 0.0 108.174 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.456 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.77 -42.27 3.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.621 2.214 . . . . 0.0 112.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -61.27 -35.8 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 74' ' ' LYS . 2.8 mt-10 -58.9 -43.48 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.349 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' TYR . 16.0 mt -63.18 -54.54 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.065 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 20' ' ' VAL . 94.7 t -42.83 -44.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.15 -45.55 72.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.1 t80 -65.36 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.533 ' CD1' ' CD2' ' A' ' 63' ' ' PHE . 17.4 mm -75.18 -62.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.476 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.54 -41.58 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.67 65.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ILE . 3.0 mmtp -59.11 -40.0 84.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.08 68.06 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.83 156.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.401 ' CG2' HD12 ' A' ' 11' ' ' LEU . 5.6 p -151.31 37.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -74.76 -0.73 19.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -40.86 144.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.7 p -153.49 162.58 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.8 151.91 22.18 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-O 122.777 1.209 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.61 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.282 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.3 t 179.79 170.75 1.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.9 p -153.3 93.14 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.076 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m 62.54 154.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.011 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m 64.24 154.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.963 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.8 -150.47 18.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.414 1.071 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.87 170.44 8.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.446 0.733 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -144.08 -58.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.68 -160.8 13.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.25 70.93 27.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.758 1.265 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' PRO . 65.1 Cg_exo -48.03 173.78 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' PRO . 66.9 Cg_exo -48.08 180.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.632 2.221 . . . . 0.0 112.332 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.32 118.89 37.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 15' ' ' GLY . 76.0 p -151.49 174.51 13.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -40.81 -50.99 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.391 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.61 -43.36 25.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -76.18 -34.31 46.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.406 ' CD1' HG21 ' A' ' 85' ' ' ILE . 65.2 mt -63.99 -54.59 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.29 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -45.38 -46.3 13.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -60.8 -47.93 84.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 ' CG2' HG21 ' A' ' 82' ' ' VAL . 13.0 t -50.64 -54.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.46 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.74 -52.78 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -48.06 -53.68 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.486 ' CG1' ' CB ' ' A' ' 58' ' ' ALA . 35.9 t -57.42 -41.97 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.2 mt -65.31 -42.32 93.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.364 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' TYR . 29.1 mttt -57.53 -43.75 84.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 87.9 mt -44.39 -27.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.7 t80 -86.34 101.1 12.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.72 -39.1 50.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -50.85 -28.62 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.419 ' CG1' HD11 ' A' ' 47' ' ' LEU . 56.2 mt -103.6 127.37 57.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.89 135.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.828 1.299 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.69 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -29.97 11.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . 16.4 mttm -91.92 -51.65 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' LYS . 4.5 tt -40.31 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.46 ' CB ' ' HB2' ' A' ' 39' ' ' SER . 0.2 OUTLIER -163.8 129.5 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' SER . 8.4 p -39.95 -30.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' SER . 41.9 m-20 -120.62 60.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -139.49 141.64 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.446 ' ND1' ' N ' ' A' ' 42' ' ' MET . 62.2 t-80 -75.59 173.98 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 69.1 m-85 -103.79 10.36 36.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.446 ' N ' ' ND1' ' A' ' 40' ' ' HIS . 62.2 mtt -144.65 -44.81 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -52.47 -49.76 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 3.8 t70 -108.51 -65.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 88.6 mt -42.37 -77.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.73 57.08 0.7 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 HD11 ' CG1' ' A' ' 30' ' ' ILE . 20.4 mt -109.04 -171.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.7 165.57 20.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 p -53.84 -39.7 65.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.072 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.09 -28.42 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -87.67 -24.74 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.172 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 35.4 tp60 -64.81 -35.68 81.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.35 -32.51 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -56.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.8 mt -44.46 -54.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.3 mm -56.11 -54.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.9 mmm -49.07 -27.47 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.486 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -66.99 -40.75 87.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.2 mmt -79.95 -22.06 43.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.82 -20.55 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -96.82 -44.78 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.36 -43.85 96.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.544 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 68.1 m-85 -103.69 11.06 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.9 58.5 1.51 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.4 m-85 -116.18 -175.37 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -138.36 84.48 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.518 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 7.9 mt -89.52 121.52 69.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.836 1.303 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 162.45 41.99 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -24.69 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.3 -25.15 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -96.48 -51.54 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -47.08 -32.81 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' CE ' ' A' ' 76' ' ' MET . 21.5 pt-20 -75.44 -35.14 60.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -76.42 -17.8 59.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 34.8 mt -90.0 114.71 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.419 ' HB3' ' NE2' ' A' ' 40' ' ' HIS . 6.3 mmt -132.49 19.67 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.27 159.17 18.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.764 1.269 . . . . 0.0 108.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.8 -40.74 4.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -60.01 -38.96 84.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' TYR . 22.3 mt -72.94 -51.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.463 HG21 ' CG2' ' A' ' 20' ' ' VAL . 93.1 t -44.6 -40.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.518 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 31.7 t80 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.487 HG23 ' CD1' ' A' ' 63' ' ' PHE . 19.6 mm -74.58 -61.9 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.504 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.55 -56.76 2.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.72 -55.54 11.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -52.36 -36.77 54.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.5 69.1 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.228 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.8 119.71 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -139.25 33.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -108.66 44.99 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 72.55 -58.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.5 t -159.56 -52.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.85 148.24 17.66 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 122.756 1.198 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 179.58 3.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.405 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.4 -65.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.9 t 54.21 97.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -161.25 116.45 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.005 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -171.21 138.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.5 -169.73 12.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -89.85 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 109.989 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -179.22 94.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.36 69.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -111.59 151.2 43.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.861 1.315 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -48.03 152.9 3.01 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -48.01 152.41 3.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' GLY . 4.2 mt -88.98 93.16 9.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 11' ' ' LEU . 22.1 p 46.16 -166.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 110.389 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 16' ' ' ILE . 0.2 OUTLIER -47.62 -49.72 26.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.23 -21.47 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -86.17 -23.96 42.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.452 HG21 ' CG2' ' A' ' 85' ' ' ILE . 40.1 mt -72.23 -56.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -51.87 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.35 -48.11 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -59.88 -51.7 68.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.417 ' CG2' HG23 ' A' ' 82' ' ' VAL . 4.0 t -46.86 -49.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -70.44 -53.91 14.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -44.43 -52.97 7.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 50.5 t -58.63 -44.05 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.482 ' CB ' HD13 ' A' ' 35' ' ' LEU . 49.1 mt -62.52 -42.79 99.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 27' ' ' TYR . 7.2 mttp -58.2 -45.44 87.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.221 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -45.21 -26.57 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.2 t80 -86.37 97.52 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.52 -50.73 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -40.51 -39.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' TYR . 14.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.34 136.97 19.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.758 1.266 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.62 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -16.21 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.2 mttt -100.86 -49.76 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.482 HD13 ' CB ' ' A' ' 24' ' ' LEU . 5.3 tt -39.51 152.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.446 ' N ' ' CD2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -165.59 129.72 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -40.36 -29.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 36' ' ' SER . 9.5 t-20 -118.98 58.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.24 121.65 20.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 38.2 t-80 -66.88 151.17 48.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 87.7 m-85 -87.65 3.01 49.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.419 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 36.7 mtt -138.61 -44.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.77 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.04 -71.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.461 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 54.5 mt -54.56 -68.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.69 45.01 1.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 11.6 mt -94.2 176.99 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.01 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -63.43 -50.49 69.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.9 mt -51.87 -23.62 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -89.06 -26.84 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' SER . 15.2 tm0? -79.26 -30.05 42.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 54' ' ' GLU . 8.9 p -73.71 -40.67 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.42 ' N ' HG11 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -65.98 -49.78 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 110.272 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.3 mt -47.73 -56.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.3 mm -51.7 -54.59 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.37 -32.52 11.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.458 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -63.3 -40.94 98.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.17 -28.61 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.29 -23.72 63.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.66 -49.29 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 12.2 tm-20 -52.09 -27.46 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CD2' HD12 ' A' ' 85' ' ' ILE . 31.3 m-85 -114.65 -27.51 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.91 61.77 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 17.0 m-85 -126.84 -174.74 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -133.31 84.9 2.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 30.3 mt -94.49 114.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.791 1.282 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 163.78 37.0 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.94 -25.43 68.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -96.16 -54.67 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -46.45 -37.21 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.86 -36.63 83.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.63 -12.23 60.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.372 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -98.09 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.417 ' HB3' ' NE2' ' A' ' 40' ' ' HIS . 9.5 mmt -132.65 18.32 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.401 ' HA ' ' CE2' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -156.72 159.43 31.33 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.756 1.265 . . . . 0.0 108.275 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -54.9 -37.12 65.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.19 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 84' ' ' TYR . 10.6 mt -63.22 -53.57 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.417 HG23 ' CG2' ' A' ' 20' ' ' VAL . 87.7 t -42.52 -45.76 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.91 -43.93 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.4 t80 -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.56 HD12 ' CD2' ' A' ' 63' ' ' PHE . 6.6 mm -80.73 -62.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.14 -37.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.63 -50.55 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.466 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 7.0 mmtt -52.07 -30.73 27.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -71.98 -33.45 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -122.14 97.47 5.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.8 p -147.87 35.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -76.86 -0.36 23.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -49.67 30.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.16 143.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.954 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.38 154.7 11.2 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 122.787 1.215 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 141.42 45.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.6 p -127.24 129.06 47.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.936 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.57 92.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.963 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 56.97 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.62 130.82 38.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.57 166.78 34.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.159 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -148.3 113.3 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.043 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.83 158.99 44.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.93 -122.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mtt -135.07 84.92 35.51 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.727 1.251 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -47.95 170.25 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.374 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -47.9 157.79 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mt -99.5 98.4 9.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.4 p -140.32 163.79 31.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' ILE . 1.1 mm? -44.16 -47.59 9.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -42.56 -35.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.69 -41.5 74.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 13' ' ' LEU . 74.5 mt -57.19 -52.81 51.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.579 0.811 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 20' ' ' VAL . 6.5 tt0 -54.42 -66.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.69 -44.08 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -63.09 -47.88 80.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.424 HG23 ' CG2' ' A' ' 82' ' ' VAL . 4.2 t -51.22 -46.77 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -73.34 -51.32 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -47.95 -48.88 31.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.438 ' CG1' ' CB ' ' A' ' 58' ' ' ALA . 41.5 t -63.22 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 75.5 mt -65.69 -30.4 71.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 5.1 mttt -65.29 -42.14 93.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt -47.92 -30.1 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.1 t80 -80.84 98.9 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.01 -44.41 9.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.55 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -47.35 -37.29 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 27' ' ' TYR . 33.2 mt -92.99 109.08 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.24 138.32 75.27 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 122.838 1.304 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -45.25 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -17.58 49.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.46 -42.11 6.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.1 tt -40.09 122.35 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.49 139.75 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.4 -26.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.05 55.85 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -124.14 139.5 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 15.9 t-80 -89.58 152.0 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.486 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 71.2 m-85 -88.21 3.2 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.7 mtt -139.81 -48.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -55.17 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -83.28 -71.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 75.0 mt -40.01 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.53 46.37 1.98 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mt -93.23 -170.87 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -114.11 163.09 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.7 OUTLIER -57.48 -42.38 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 4.2 mp -52.51 -33.91 47.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -74.52 -22.95 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 6.1 tm0? -73.93 -38.98 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 9.3 p -65.71 -27.7 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -82.95 -47.07 12.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.45 HD11 ' CD1' ' A' ' 41' ' ' PHE . 10.1 mt -51.5 -47.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.4 mm -61.78 -52.31 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -26.59 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -68.44 -41.83 79.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.7 mmt -77.27 -23.13 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -76.7 -23.28 53.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -97.21 -48.01 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.416 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 4.0 tm-20 -54.55 -41.86 70.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.526 ' CD2' HD13 ' A' ' 85' ' ' ILE . 76.6 m-85 -109.77 15.29 22.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 63.56 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 88' ' ' LYS . 4.5 m-85 -122.71 -178.21 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.55 91.92 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.519 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -97.85 119.48 62.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.752 1.263 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.13 28.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -24.34 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -70.79 -25.32 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.419 ' N ' HG13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -101.21 -41.87 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.75 -22.79 64.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.428 ' O ' ' CE ' ' A' ' 76' ' ' MET . 22.8 pt-20 -82.16 -33.4 29.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.429 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 17.9 mt -96.85 116.25 28.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.428 ' CE ' ' O ' ' A' ' 73' ' ' GLU . 5.9 mmt -133.12 7.94 4.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.03 161.15 33.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.846 1.307 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.0 Cg_endo -69.82 -37.88 8.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.742 2.295 . . . . 0.0 112.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -64.78 -35.14 80.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.15 -32.76 72.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 84' ' ' TYR . 14.8 mt -74.14 -52.04 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.424 ' CG2' HG23 ' A' ' 20' ' ' VAL . 92.5 t -44.75 -40.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.72 -41.53 99.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 13.5 t80 -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.526 HD13 ' CD2' ' A' ' 63' ' ' PHE . 9.6 mm -72.08 -61.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.93 -56.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -50.24 53.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -60.68 -24.0 65.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.234 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 2.6 tptt -79.82 -54.81 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 89' ' ' LYS . 11.7 t0 -61.06 151.18 31.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.69 33.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.86 36.13 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -143.1 140.03 30.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.35 116.46 11.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.087 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.39 127.82 1.41 Allowed Glycine 0 CA--C 1.53 1.006 0 CA-C-O 122.814 1.23 . . . . 0.0 110.992 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 98' ' ' SER . 53.4 Cg_endo -69.81 58.05 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.6 OUTLIER 60.28 -83.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.4 OUTLIER 83.36 144.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.77 144.79 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.31 164.33 38.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.046 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.62 -96.91 1.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -107.66 92.78 4.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 0.733 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.89 121.42 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.65 162.95 22.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -118.98 142.06 31.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.778 1.275 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.98 164.03 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.07 178.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.72 2.28 . . . . 0.0 112.279 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mt -105.87 95.8 6.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' GLY . 32.0 p -139.21 167.07 22.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.417 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -41.7 -54.46 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -46.98 -41.5 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -75.76 -41.27 29.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.463 HG23 ' CG2' ' A' ' 85' ' ' ILE . 33.8 mt -58.16 -56.12 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -51.08 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -43.71 -46.63 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -60.68 -51.99 67.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 82' ' ' VAL . 17.4 t -44.01 -39.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -76.7 -41.45 45.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.85 -55.26 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.44 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 69.7 t -57.64 -40.87 77.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 70.9 mt -68.14 -34.9 77.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.4 mttt -64.08 -45.94 86.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.42 -25.56 4.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.5 t80 -82.54 98.79 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.78 -40.64 9.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.591 1.182 . . . . 0.0 109.37 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.06 -37.53 46.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 27' ' ' TYR . 29.9 mt -96.21 103.09 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.87 138.84 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.786 1.279 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.77 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.5 -14.66 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -106.69 -39.69 5.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.0 tt -40.52 122.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.39 143.86 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' CG ' ' A' ' 79' ' ' GLN . 2.6 p -54.31 -20.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -124.96 59.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -123.71 129.98 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.501 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 46.3 t-80 -74.79 146.4 42.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.538 ' CD1' ' O ' ' A' ' 76' ' ' MET . 4.2 m-30 -83.81 8.02 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.427 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 29.0 mtt -144.86 -56.91 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -40.63 -62.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.493 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 82.0 mt -40.56 -56.4 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.45 44.01 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.61 164.15 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -100.34 174.41 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 p -62.28 -50.12 72.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.2 mt -51.73 -23.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.95 -26.71 21.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 14.2 tm0? -78.68 -30.38 46.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 54' ' ' GLU . 8.4 p -73.01 -39.24 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -68.12 -44.87 75.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 13.1 mt -51.66 -54.2 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 59' ' ' MET . 14.8 mm -49.89 -62.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.47 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -52.38 -47.17 66.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ILE . 17.4 mmt -67.41 -37.74 83.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -61.96 -19.2 62.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -98.94 -53.21 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -52.81 -37.13 59.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 48.6 m-85 -104.26 -13.05 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.16 52.84 44.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 10.3 m-85 -117.82 178.57 4.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 85.67 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 5.8 mt -93.22 121.79 64.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.805 1.288 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.66 30.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.743 2.295 . . . . 0.0 112.295 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -24.6 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.401 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -68.71 -25.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.401 ' N ' HG13 ' A' ' 70' ' ' ILE . 0.5 OUTLIER -97.23 -46.95 5.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.458 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -53.23 -28.1 25.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -77.11 -34.53 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -11.13 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 17.9 mt -95.36 117.75 30.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.538 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 17.2 mmt -124.63 -38.76 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.425 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -104.83 165.2 13.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 122.755 1.264 . . . . 0.0 108.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.464 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.83 -39.04 6.84 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.462 ' CG ' ' CG2' ' A' ' 37' ' ' VAL . 1.1 tm0? -67.06 -28.68 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.37 -50.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 20' ' ' VAL . 94.4 t -45.16 -43.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.223 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -46.77 65.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.522 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.0 t80 -65.78 -37.6 86.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.463 ' CG2' HG23 ' A' ' 16' ' ' ILE . 31.4 mm -66.19 -61.99 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.463 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -39.3 -57.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -44.59 -53.66 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -53.81 -39.65 65.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.88 67.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -42.66 111.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.6 p -131.33 37.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -87.35 41.67 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -88.17 94.91 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.61 127.02 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.52 165.68 51.88 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 122.768 1.205 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 133.47 25.47 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.297 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.9 m -61.12 148.81 39.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.438 1.086 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.86 100.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.63 80.06 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 109.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -144.27 89.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.79 142.65 8.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -123.04 100.59 6.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 109.936 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -127.8 128.49 45.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.397 1.061 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.93 119.37 4.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.426 1.079 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttt -126.63 83.35 65.11 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 122.83 1.3 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.98 156.05 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.289 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.93 -179.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.21 118.27 35.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.0 p -134.08 168.34 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.423 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.21 -41.92 38.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -50.48 -23.69 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.81 -31.9 22.71 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.422 ' CD1' HG23 ' A' ' 85' ' ' ILE . 49.0 mt -67.7 -56.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -49.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -41.94 -49.95 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mmt-85 -59.22 -52.78 64.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.418 ' CG2' HG23 ' A' ' 82' ' ' VAL . 24.0 t -43.66 -49.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -73.56 -57.0 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -38.84 -53.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 83.8 t -59.22 -51.38 73.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 30' ' ' ILE . 75.1 mt -54.98 -34.2 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -69.01 -42.41 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 37.1 mt -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.454 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.02 104.36 10.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -52.4 -37.44 56.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 1.3 mtpt -53.44 -32.11 48.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.467 ' CD1' HD22 ' A' ' 24' ' ' LEU . 59.7 mt -96.25 141.29 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 137.32 19.19 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 122.817 1.294 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.76 72.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -81.36 -43.33 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tp -48.61 154.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.406 ' C ' ' N ' ' A' ' 38' ' ' ASN . 2.1 m -174.95 144.74 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.2 p -47.4 -25.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' SER . 3.0 m-80 -129.88 65.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.11 117.25 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.26 168.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.402 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 11.7 m-30 -103.09 11.39 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.5 mtt -143.66 -47.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 1.8 pttt -55.26 -50.71 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 22.0 t0 -100.14 -64.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 80.5 mt -50.53 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.13 40.13 1.72 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.7 mt -94.03 -170.01 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.72 174.05 9.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 15.5 p -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.4 mt -50.69 -27.06 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -87.67 -27.71 22.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 33.9 tp60 -62.15 -37.4 85.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.77 -37.05 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -49.3 49.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.5 mt -52.54 -62.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.468 HD11 ' CD1' ' A' ' 75' ' ' LEU . 10.3 mm -50.64 -57.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 mmt -41.84 -39.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -59.29 -46.65 87.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.418 ' N ' ' O ' ' A' ' 56' ' ' ILE . 16.1 mmt -66.46 -34.98 79.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.76 -18.39 59.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -99.45 -52.88 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 2.2 mm-40 -52.52 -31.4 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 37.3 m-85 -108.15 -22.18 12.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 58.91 5.99 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 88' ' ' LYS . 14.0 m-85 -126.0 -176.11 3.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 0.797 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -132.15 84.71 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 9.1 mt -92.74 116.92 67.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.844 1.307 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 161.65 45.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.39 -24.83 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -68.32 -25.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' LYS . 1.3 m-20 -96.5 -52.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.419 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -49.76 -30.5 9.6 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.612 1.195 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.438 ' O ' ' CE ' ' A' ' 76' ' ' MET . 18.9 pt-20 -76.4 -29.97 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.29 -14.98 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 56' ' ' ILE . 22.2 mt -92.38 116.88 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.438 ' CE ' ' O ' ' A' ' 73' ' ' GLU . 25.9 mmt -119.02 -26.55 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -121.34 163.22 31.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 0.0 108.371 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.416 ' HB2' ' CG1' ' A' ' 20' ' ' VAL . 53.6 Cg_endo -69.82 -39.84 5.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -54.19 -48.86 70.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -48.8 -41.13 31.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 56.0 mt -64.45 -47.85 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.418 HG23 ' CG2' ' A' ' 20' ' ' VAL . 93.9 t -52.81 -40.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.6 t80 -61.72 -61.18 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.492 HG13 ' CE2' ' A' ' 63' ' ' PHE . 27.4 mm -39.33 -58.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 89' ' ' LYS . . . -39.75 -55.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mmtt -55.21 -40.06 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' ALA . 4.8 tmtt? 42.34 66.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -66.2 113.03 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -143.87 36.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -88.16 41.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.78 150.63 22.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.9 m -136.9 -59.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.66 -174.1 42.05 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 122.787 1.215 . . . . 0.0 111.039 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 140.43 42.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.7 m -111.43 84.9 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m 62.55 152.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.96 81.82 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -160.01 167.01 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.05 140.72 12.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.4 1.062 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -142.77 163.97 31.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -146.23 88.52 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.003 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.37 -107.07 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.7 ptp -165.52 149.65 7.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.753 1.263 . . . . 0.0 111.058 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.96 152.52 3.18 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.01 173.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mt -102.34 104.55 15.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 p -132.05 164.99 25.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.402 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.72 -46.92 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -51.83 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.04 -37.15 64.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.471 HG22 ' CG2' ' A' ' 85' ' ' ILE . 94.2 mt -57.21 -57.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.5 tt0 -54.5 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -40.02 -46.6 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.213 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -60.2 -48.26 82.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 17' ' ' GLN . 18.8 t -51.68 -39.19 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.67 -48.58 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -52.12 -46.8 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' ALA . 56.2 t -67.47 -48.29 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 38.8 mt -58.3 -27.21 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 27' ' ' TYR . 5.7 mttt -72.06 -45.92 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 mt -43.5 -27.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.548 ' CD2' HD11 ' A' ' 30' ' ' ILE . 1.4 t80 -82.77 97.47 8.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 111.06 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -45.66 -42.83 11.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -48.94 -37.85 21.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.548 HD11 ' CD2' ' A' ' 27' ' ' TYR . 13.2 mt -92.29 108.2 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.5 138.43 93.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.772 1.273 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.4 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -19.73 57.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -97.62 -42.01 7.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.05 104.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.41 136.54 41.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.419 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 1.1 m -45.44 -40.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -101.95 51.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.47 118.53 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -70.37 146.48 50.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 14.9 m-85 -84.55 -4.71 59.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 -47.63 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -69.91 -60.92 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -85.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -42.11 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.6 57.37 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.8 mt -100.26 -170.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 0.811 . . . . 0.0 109.363 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -119.32 155.6 31.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -51.5 -45.06 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.43 -33.47 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.63 -26.56 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.4 tm0? -64.71 -46.22 83.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.09 -31.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -51.55 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' A' ' 24' ' ' LEU . 8.8 mt -45.87 -43.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.411 ' CG2' ' HB3' ' A' ' 72' ' ' ALA . 13.0 mm -64.94 -59.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.398 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.9 mtt -40.74 -52.31 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.466 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -44.96 -52.53 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.48 -35.2 75.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -66.25 -21.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -99.31 -50.92 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.45 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 25.9 tp10 -52.02 -29.26 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.556 ' CD2' HD13 ' A' ' 85' ' ' ILE . 35.1 m-85 -112.4 -25.0 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.99 73.47 1.08 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.0 m-85 -139.96 -177.34 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -134.22 80.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 9.6 mt -91.08 117.77 68.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.815 1.293 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.69 26.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -24.5 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.372 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 2.1 pt -65.6 -28.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -97.12 -54.22 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.411 ' HB3' ' CG2' ' A' ' 56' ' ' ILE . . . -46.69 -35.7 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -69.06 -36.22 77.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -72.85 -13.5 61.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 16.2 mt -94.97 116.42 28.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmt -127.27 5.14 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 161.13 43.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.793 1.282 . . . . 0.0 108.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.565 ' HD3' ' CE1' ' A' ' 41' ' ' PHE . 53.1 Cg_endo -69.77 -50.27 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -54.3 -37.6 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -37.35 69.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' TYR . 7.3 mt -69.31 -51.69 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.0 t -43.25 -47.28 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -51.97 -45.09 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.522 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -66.33 -31.43 72.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.556 HD13 ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.74 -59.22 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' LYS . . . -44.55 -53.07 7.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -46.85 29.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' LYS . 6.1 mmtt -50.86 -31.26 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 39.77 68.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.7 116.94 29.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.7 p -132.85 37.17 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.51 34.57 0.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 49.26 85.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t -47.26 163.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -168.45 -172.57 35.48 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 122.734 1.186 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -58.65 6.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.193 . . . . 0.0 110.049 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.5 m -76.97 85.12 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.935 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.51 166.51 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.434 0.726 . . . . 0.0 109.992 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t 65.9 83.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.964 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.46 86.68 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.414 1.071 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -136.65 145.98 45.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.07 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.47 -59.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.6 -130.18 3.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.8 ttm -157.82 105.23 1.77 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.727 1.251 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.93 165.93 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -48.02 177.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.375 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mt -104.99 105.82 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.1 p -131.94 157.96 42.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.52 ' CD1' ' CG1' ' A' ' 82' ' ' VAL . 0.3 OUTLIER -43.44 -43.8 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.375 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.54 -29.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -74.82 -61.82 2.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 15.6 mt -40.47 -54.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 9.7 tt0 -47.86 -65.2 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 8.1 t0 -38.42 -60.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.47 -58.01 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 17' ' ' GLN . 50.7 t -39.85 -31.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.422 ' N ' ' C ' ' A' ' 19' ' ' ARG . 1.8 mt -89.88 -52.72 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -46.33 -40.15 11.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 58' ' ' ALA . 48.5 t -74.97 -50.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.428 HD23 ' CD1' ' A' ' 30' ' ' ILE . 14.5 mt -52.21 -28.69 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -74.09 -46.74 41.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 mt -40.92 -36.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -72.48 106.85 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.16 -20.78 43.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -70.31 -33.36 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.391 1.057 . . . . 0.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.428 ' CD1' HD23 ' A' ' 24' ' ' LEU . 51.2 mt -95.5 143.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.93 141.4 22.47 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 122.827 1.299 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -46.44 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.765 2.31 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -34.07 73.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.8 -40.95 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.47 146.97 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.31 143.62 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.4 p -48.92 -27.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -122.75 59.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.09 112.34 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -59.06 167.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.457 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 9.8 m-30 -99.0 6.88 46.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.3 mtt -139.9 -45.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 8.9 pttt -57.36 -51.24 70.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 6.6 t70 -99.51 -65.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.457 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 95.4 mt -49.76 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.36 39.39 1.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mt -95.0 -173.81 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -122.35 170.81 9.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -60.9 -42.72 98.56 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.382 1.052 . . . . 0.0 109.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.22 -33.69 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -86.02 -27.8 24.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.1 tm0? -62.75 -44.09 97.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.62 -31.28 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -46.29 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 10.2 mt -55.38 -47.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' MET . 11.1 mm -56.05 -60.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mmt -39.93 -45.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.401 ' HB3' ' CG1' ' A' ' 23' ' ' VAL . . . -51.65 -46.43 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.43 ' N ' ' O ' ' A' ' 56' ' ' ILE . 19.2 mmt -71.39 -25.3 62.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.35 -20.92 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.02 -49.74 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.47 -36.82 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.603 ' CD2' ' CD1' ' A' ' 85' ' ' ILE . 30.6 m-85 -105.44 -19.19 13.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.33 73.08 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.5 m-85 -139.56 -172.26 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -138.13 84.12 2.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.513 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 6.2 mt -89.35 118.64 69.29 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.794 1.283 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.68 30.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -24.5 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -69.18 -24.63 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' N ' HG13 ' A' ' 70' ' ' ILE . 2.0 m-20 -96.36 -50.32 4.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -50.21 -33.36 19.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -72.16 -32.87 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -16.96 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 25.5 mt -90.59 120.1 31.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.412 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 23.1 mmt -125.33 -38.94 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.422 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -105.84 164.97 13.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.816 1.293 . . . . 0.0 108.245 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.422 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.3 Cg_endo -69.75 -39.25 6.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.613 2.209 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -63.52 -31.5 72.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.16 -34.35 73.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.44 ' O ' ' N ' ' A' ' 84' ' ' TYR . 55.9 mt -73.78 -50.74 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.52 ' CG1' ' CD1' ' A' ' 13' ' ' LEU . 89.3 t -43.5 -43.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -56.45 -44.32 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.087 . . . . 0.0 109.225 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.513 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 38.8 t80 -64.79 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.603 ' CD1' ' CD2' ' A' ' 63' ' ' PHE . 16.5 mm -73.52 -59.56 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.68 -45.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.01 -50.81 63.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.496 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mmtt -59.38 -39.87 84.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER 40.32 51.66 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t70 44.7 83.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.84 33.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 94' ' ' SER . 2.7 m-85 -113.45 36.08 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.07 73.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 92' ' ' TYR . 0.4 OUTLIER 179.36 169.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.038 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.37 165.04 38.72 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-O 122.779 1.21 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -179.24 2.79 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.237 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.3 p -156.1 114.77 3.43 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.462 1.101 . . . . 0.0 109.931 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t 39.49 90.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.951 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.094 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.05 110.8 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.76 144.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.016 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.45 88.06 0.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -108.28 111.74 23.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.752 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 p -160.06 104.86 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.85 143.11 0.34 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -158.91 87.6 2.21 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 122.837 1.304 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.9 163.93 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.94 178.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.295 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mp -104.02 -168.55 1.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -149.4 167.71 25.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -47.6 -46.87 28.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.379 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.56 -31.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.05 -57.05 5.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.472 ' CG2' HG12 ' A' ' 82' ' ' VAL . 27.8 mt -42.89 -56.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 8.2 tt0 -48.68 -67.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.4 t0 -42.16 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 5.2 mpt_? -39.05 -60.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.446 HG12 ' CD2' ' A' ' 21' ' ' LEU . 4.5 t -39.56 -44.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -77.42 -56.88 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -38.82 -47.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.436 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 29.0 t -63.06 -46.46 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' CD2' HG12 ' A' ' 55' ' ' ILE . 59.3 mt -56.16 -41.46 75.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -61.06 -50.73 72.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 mt -41.71 -31.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.71 97.03 6.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.7 -36.31 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.16 -33.6 41.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 58.6 mt -102.96 134.09 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.32 138.32 28.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.812 1.292 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 -47.78 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -25.6 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -88.81 -36.13 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.463 HD12 ' CD1' ' A' ' 24' ' ' LEU . 2.8 tp -57.59 156.67 7.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 174.41 146.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.973 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.5 -41.52 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -98.99 49.12 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.065 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.58 98.69 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.49 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 25.9 t-80 -58.48 155.98 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.576 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 10.8 m-85 -90.8 -15.43 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.437 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -122.21 -46.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 17.8 mttt -67.84 -13.52 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.74 -81.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 89.3 mt -43.66 -40.18 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.87 0.96 89.08 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.442 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 3.9 mt -50.13 157.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 56.6 p30 -96.74 164.78 12.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -45.7 -39.88 8.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.912 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.4 mt -47.18 -33.37 5.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.442 ' OD2' ' CD1' ' A' ' 47' ' ' LEU . 8.1 t0 -79.59 -34.75 40.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . 20.3 tm0? -57.32 -50.16 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.26 -46.88 94.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -60.14 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.466 HG12 ' CD2' ' A' ' 24' ' ' LEU . 9.6 mt -45.58 -57.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.419 HG13 ' NE2' ' A' ' 52' ' ' GLN . 14.3 mm -49.2 -60.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.0 mtt -46.64 -39.68 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -54.72 -44.14 73.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.7 mmt -72.04 -24.92 61.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.37 -22.69 59.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -99.57 -47.47 5.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -53.19 -42.81 66.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.539 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 87.5 m-85 -109.71 11.5 24.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.17 65.95 1.49 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 6.0 m-85 -123.75 -175.62 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 0.758 . . . . 0.0 111.024 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -144.79 82.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.564 HG12 ' CE1' ' A' ' 84' ' ' TYR . 8.4 mt -93.19 121.91 64.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.784 1.278 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 163.96 36.43 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.421 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.67 -25.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' CB ' HG21 ' A' ' 67' ' ' ILE . 68.4 m-20 -96.28 -31.8 12.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.435 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -72.31 -37.68 68.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -59.0 -32.16 69.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -79.37 -26.51 42.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 51.5 mt -83.02 115.61 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.2 mmt -133.57 16.45 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.418 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -158.6 164.95 19.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 122.891 1.329 . . . . 0.0 108.214 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.576 ' HD3' ' CZ ' ' A' ' 41' ' ' PHE . 52.6 Cg_endo -69.86 -49.6 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.623 2.216 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -51.95 -49.3 63.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 4.0 mt-10 -45.54 -40.06 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.2 mt -68.1 -48.57 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.472 HG12 ' CG2' ' A' ' 16' ' ' ILE . 98.5 t -46.58 -44.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.55 -39.8 95.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE1' HG12 ' A' ' 67' ' ' ILE . 9.1 t80 -65.46 -36.74 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.423 HD11 ' CD2' ' A' ' 63' ' ' PHE . 2.2 mm -71.75 -56.19 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.75 -51.5 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.79 -53.6 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -54.65 -39.7 68.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.236 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -38.08 73.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.24 104.96 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 92' ' ' TYR . 3.9 p -137.23 15.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 91' ' ' VAL . 5.7 m-85 30.65 87.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -123.53 146.78 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 t -143.77 81.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.65 -165.7 12.36 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-O 122.796 1.22 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 113.39 3.35 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 t -151.09 -47.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 126.54 36.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.91 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 111.025 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -71.5 143.09 50.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -156.63 83.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.31 126.71 2.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -142.81 132.34 23.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 0.802 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.42 111.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.45 104.55 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.587 1.179 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.23 144.71 28.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 122.789 1.281 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' PRO . 64.3 Cg_exo -47.93 155.18 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' PRO . 64.8 Cg_exo -47.85 -179.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.754 2.303 . . . . 0.0 112.376 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.36 95.56 8.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.0 p -125.62 155.66 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -42.7 -45.83 4.86 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -38.56 -30.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -75.71 -54.33 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 57.7 mt -46.41 -58.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.21 -61.05 1.94 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.74 -54.77 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 15' ' ' GLY . 10.2 mpt_? -51.59 -56.52 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 82' ' ' VAL . 9.4 t -42.52 -40.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.528 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -79.25 -60.7 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -42.55 -45.39 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 58' ' ' ALA . 9.9 t -65.72 -48.23 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' CD2' HG12 ' A' ' 55' ' ' ILE . 51.1 mt -60.72 -30.85 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -65.66 -49.99 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.2 mt -41.6 -33.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.4 t80 -76.29 100.56 5.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.27 -36.48 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 13.9 mtpt -54.73 -36.5 64.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.457 HD13 ' CD1' ' A' ' 55' ' ' ILE . 24.1 mt -93.17 115.15 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 137.18 66.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.84 1.305 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -46.54 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -15.9 13.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -105.4 -39.72 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 36' ' ' SER . 0.8 OUTLIER -44.28 127.22 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -153.14 146.76 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.428 ' CG2' ' HB2' ' A' ' 79' ' ' GLN . 10.5 p -56.34 -30.14 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 7.9 p-10 -112.01 44.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.2 125.06 44.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.438 ' CG ' ' H ' ' A' ' 41' ' ' PHE . 24.1 t-80 -63.38 -167.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.652 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 76' ' ' MET . 22.0 m-85 -130.64 -39.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -98.0 -16.03 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -93.05 -76.2 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -78.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 mt -45.18 -53.85 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.46 43.64 5.16 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.486 ' CD1' ' OD2' ' A' ' 51' ' ' ASP . 4.3 mt -93.54 162.79 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.06 172.56 8.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 69.6 m -55.7 -41.91 74.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -47.08 -40.75 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.408 1.068 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.486 ' OD2' ' CD1' ' A' ' 47' ' ' LEU . 6.6 t70 -70.77 -32.4 69.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.3 tm0? -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.7 t -51.41 -50.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.77 -60.01 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.464 HG12 ' CD2' ' A' ' 24' ' ' LEU . 20.6 mt -48.57 -39.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.459 ' CD1' HD13 ' A' ' 75' ' ' LEU . 19.8 mm -65.9 -60.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -46.29 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.457 ' HB2' ' CG1' ' A' ' 23' ' ' VAL . . . -43.52 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.7 mmt -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -63.2 -23.16 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.54 -47.31 5.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -52.8 -40.01 62.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.558 ' CD2' HD12 ' A' ' 85' ' ' ILE . 49.4 m-85 -103.14 -20.27 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.48 62.67 2.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CE1' ' HG3' ' A' ' 88' ' ' LYS . 13.3 m-85 -126.89 -178.93 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.754 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -131.65 81.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.481 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 7.2 mt -89.05 115.86 64.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.832 1.301 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -179.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -24.31 54.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -22.11 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.433 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -98.84 -57.15 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -44.81 -42.91 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -58.61 -38.57 78.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -73.83 -20.85 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 56' ' ' ILE . 42.0 mt -83.45 123.92 30.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.602 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 20.0 mmt -126.01 -39.94 2.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.505 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -110.99 168.54 7.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.813 1.292 . . . . 0.0 108.223 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.505 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 54.0 Cg_endo -69.74 -35.06 13.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.428 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . 33.6 tp60 -64.66 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.87 -38.92 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 84' ' ' TYR . 15.1 mt -68.13 -51.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.465 HG23 ' CG2' ' A' ' 20' ' ' VAL . 91.5 t -44.47 -43.01 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -44.97 80.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.481 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.4 t80 -65.86 -34.6 78.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.558 HD12 ' CD2' ' A' ' 63' ' ' PHE . 15.0 mm -70.26 -59.2 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -40.1 -48.4 2.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -50.72 -52.38 40.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.487 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -54.16 -39.95 67.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 40.23 72.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.06 140.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 92' ' ' TYR . 4.2 p -97.28 15.15 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.492 ' C ' ' O ' ' A' ' 91' ' ' VAL . 5.9 m-85 30.57 83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -177.45 121.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.17 78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.12 -163.24 11.23 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 122.783 1.213 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -27.83 25.81 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.4 m -143.73 142.9 31.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 p -94.69 132.81 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.49 -57.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -168.51 100.86 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.73 -95.03 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m 56.4 170.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -148.86 138.49 21.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.94 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.69 165.21 24.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 88.55 30.64 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 122.847 1.308 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.89 153.16 2.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.403 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_exo -48.05 173.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.667 2.244 . . . . 0.0 112.328 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.78 107.0 17.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.1 p -141.81 174.29 10.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -41.27 -60.05 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.54 -47.59 7.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.0 -40.36 88.76 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 19.1 mt -59.44 -54.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 109.219 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' VAL . 8.0 tt0 -52.52 -65.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -40.59 -45.97 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.471 ' CG2' HG23 ' A' ' 82' ' ' VAL . 41.3 t -51.95 -37.09 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' N ' HD21 ' A' ' 21' ' ' LEU . 1.2 mt -81.62 -45.9 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -53.02 -51.08 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.505 ' CG1' ' CB ' ' A' ' 58' ' ' ALA . 53.4 t -63.92 -42.63 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 35' ' ' LEU . 17.8 mt -63.38 -31.23 72.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' C ' ' N ' ' A' ' 27' ' ' TYR . 1.9 mttp -68.85 -49.28 59.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.3 -28.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' N ' ' C ' ' A' ' 25' ' ' LYS . 1.6 t80 -81.03 100.47 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.33 -38.12 40.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -52.94 -35.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 50.3 mt -97.51 109.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.86 137.51 90.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.768 1.27 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -47.11 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.4 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -17.29 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -104.49 -35.42 7.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.453 ' CD1' ' HB3' ' A' ' 24' ' ' LEU . 1.1 tt -49.41 98.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -135.39 134.65 39.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.402 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.5 m -41.02 -50.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -86.08 44.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.393 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -132.63 128.75 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -78.36 165.07 24.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.44 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 61.0 m-85 -91.17 10.57 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtt -149.12 -51.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.06 -50.33 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 5.1 t0 -118.54 -60.66 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.44 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 44.7 mt -39.63 -56.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.01 73.78 1.13 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 12.5 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 51' ' ' ASP . 9.1 m-20 -123.47 154.1 39.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -46.58 -39.04 10.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.0 -33.57 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' ASP . 39.0 m-20 -82.94 -23.41 33.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.1 tm0? -65.5 -36.83 85.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.9 t -67.72 -37.06 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -57.19 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.9 mt -41.8 -53.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 20.0 mm -55.12 -56.31 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mtm -44.91 -42.97 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.505 ' CB ' ' CG1' ' A' ' 23' ' ' VAL . . . -53.04 -44.81 67.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.9 mmt -73.76 -19.31 60.81 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -80.31 -22.72 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -97.77 -48.67 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 5.3 tp10 -52.08 -42.9 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.527 ' CD2' HD12 ' A' ' 85' ' ' ILE . 62.9 m-85 -110.51 15.42 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 69.36 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.8 m-85 -127.62 179.48 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 5.6 pt-20 -136.5 92.62 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.515 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 12.3 mt -102.94 119.38 55.69 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 122.867 1.318 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.75 33.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -24.42 67.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.413 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.03 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' N ' HG13 ' A' ' 70' ' ' ILE . 42.8 m-20 -97.06 -28.08 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -75.29 -37.51 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.407 ' O ' ' CE ' ' A' ' 76' ' ' MET . 16.6 pt-20 -61.37 -32.72 72.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -24.02 51.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 29.0 mt -87.55 114.35 24.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.407 ' CE ' ' O ' ' A' ' 73' ' ' GLU . 3.5 mmt -130.64 14.34 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.6 163.16 24.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 122.801 1.286 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.428 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.6 Cg_endo -69.78 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -55.6 -40.85 72.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.416 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 5.0 mt-10 -50.72 -39.81 52.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' TYR . 25.5 mt -68.41 -50.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 20' ' ' VAL . 96.7 t -44.12 -45.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -56.02 -43.13 77.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.218 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.515 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 20.7 t80 -64.85 -31.67 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.527 HD12 ' CD2' ' A' ' 63' ' ' PHE . 4.7 mm -79.42 -63.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.85 -42.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.67 -47.65 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -50.91 -32.45 20.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.36 -51.59 19.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.12 172.79 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 m -91.86 30.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -86.21 42.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.73 142.82 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.0 169.75 23.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.996 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.34 147.76 26.02 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 122.869 1.261 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 52.59 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.653 2.235 . . . . 0.0 112.402 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.86 79.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.19 143.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 106.27 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -156.88 162.67 39.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.41 -175.15 21.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 62.31 132.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -157.65 91.66 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.07 -179.58 47.9 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mtt -135.22 85.22 33.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 122.825 1.298 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.96 162.75 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.585 2.19 . . . . 0.0 112.402 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -47.92 166.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.635 2.223 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -95.53 93.41 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' GLY . 10.4 p -127.6 170.15 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -44.4 -46.48 9.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.372 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.45 -37.5 57.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -79.3 -36.35 27.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 85' ' ' ILE . 39.6 mt -62.89 -50.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.02 -64.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.36 -43.75 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 109.185 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -64.44 -48.83 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 24' ' ' LEU . 27.1 t -47.08 -36.48 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 25' ' ' LYS . 1.9 mt -85.28 -48.28 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -46.06 -51.65 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 97.5 t -62.9 -44.55 99.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD22 ' CG2' ' A' ' 55' ' ' ILE . 49.8 mt -61.31 -30.56 70.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mttt -73.51 -35.14 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.8 mt -57.76 -30.28 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.2 t80 -81.06 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.0 -40.83 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.98 -37.17 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 52.8 mt -89.31 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.43 136.16 20.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.806 1.288 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -47.57 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -30.69 70.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -88.4 -35.28 17.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -58.58 145.14 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -169.88 156.21 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.523 ' CG2' ' CG ' ' A' ' 79' ' ' GLN . 5.7 p -49.18 -23.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -126.58 59.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 36' ' ' SER . 17.5 p -124.18 93.53 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.993 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.576 ' CE1' ' HB3' ' A' ' 42' ' ' MET . 5.5 t-80 -55.67 119.0 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.558 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 2.4 m-85 -70.57 -11.55 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.576 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 22.4 tpp -101.62 -32.96 10.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -100.79 -82.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -38.74 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 ' CD1' HD13 ' A' ' 47' ' ' LEU . 16.8 mt -62.26 -57.41 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.99 14.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 45' ' ' LEU . 5.5 mt -76.06 174.08 10.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.87 156.43 18.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m -48.31 -41.58 28.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mt -51.39 -30.82 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -88.96 -25.27 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 3.1 tm0? -66.92 -44.92 79.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.28 -40.9 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -58.28 8.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.429 ' CG2' HD22 ' A' ' 24' ' ' LEU . 5.0 mt -43.04 -51.38 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 23.6 mm -55.45 -55.73 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mmt -52.89 -25.56 12.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.459 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -67.25 -39.39 86.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.2 mmt -77.4 -27.05 52.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.458 ' O ' ' CA ' ' A' ' 64' ' ' GLY . 33.6 mt-10 -71.73 -28.62 63.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.01 -43.51 13.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.366 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 40.3 m-85 -104.91 0.73 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 52.83 45.83 60.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 63' ' ' PHE . 12.1 m-30 -102.93 -177.67 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.94 84.31 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.23 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.0 mt -99.49 105.09 31.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.747 1.26 . . . . 0.0 109.35 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 156.11 64.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -52.31 -33.3 41.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.35 -37.66 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.99 -12.66 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 75' ' ' LEU . . . -85.61 -51.03 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' A' ' 76' ' ' MET . 19.5 pt-20 -52.27 -26.6 12.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -78.54 -25.9 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 27.7 mt -85.58 112.9 21.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.438 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 7.0 mmt -115.62 -23.53 8.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.85 163.31 33.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.707 1.241 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.558 ' HD3' ' CE1' ' A' ' 41' ' ' PHE . 54.4 Cg_endo -69.8 -46.69 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.523 ' CG ' ' CG2' ' A' ' 37' ' ' VAL . 4.3 tm0? -49.49 -42.67 44.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -53.07 -36.65 60.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.428 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 17.7 mt -69.12 -46.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.4 t -53.31 -40.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 5.3 t80 -60.2 -63.51 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.476 HG22 ' CD1' ' A' ' 16' ' ' ILE . 21.6 mm -40.11 -59.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 89' ' ' LYS . . . -52.11 -62.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -45.95 -31.87 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.588 ' HG2' ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -74.46 -41.18 61.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.9 OUTLIER 40.42 83.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -47.66 104.08 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 92' ' ' TYR . 3.3 p -112.29 15.2 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 91' ' ' VAL . 5.5 m-85 30.76 85.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -149.59 90.9 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.262 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 p 55.3 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.79 -165.08 29.2 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 122.769 1.205 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.63 18.41 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 m -101.3 146.63 27.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.13 104.42 16.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m 46.65 94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.938 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.96 167.09 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.84 94.36 0.15 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -61.99 -57.9 9.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 0.716 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -147.99 147.59 29.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . -64.23 -143.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.572 1.17 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.489 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 164.81 -53.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 122.8 1.286 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.489 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 64.5 Cg_exo -47.95 148.48 6.54 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.96 176.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -102.93 111.82 24.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.9 p -137.54 174.36 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.461 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -49.09 -41.09 34.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.64 71.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.8 -32.22 30.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.46 HG22 ' CG2' ' A' ' 85' ' ' ILE . 86.6 mt -63.94 -52.68 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' VAL . 4.1 tt0 -54.97 -65.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -40.34 -46.71 2.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -60.38 -48.12 83.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.471 ' CG2' HG21 ' A' ' 82' ' ' VAL . 4.6 t -52.24 -52.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -65.78 -44.54 85.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -54.1 -58.91 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.477 ' CG2' ' HG2' ' A' ' 62' ' ' GLU . 54.3 t -51.92 -36.59 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 30' ' ' ILE . 40.1 mt -69.69 -45.57 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -63.43 -31.52 72.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.381 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 52.7 mt -65.99 -15.57 63.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' LYS . 27.2 t80 -73.61 -12.36 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 66.62 -68.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -46.1 -31.77 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.409 ' CD1' HD22 ' A' ' 24' ' ' LEU . 84.8 mt -84.68 102.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.3 135.48 88.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.8 1.286 . . . . 0.0 109.232 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.734 2.289 . . . . 0.0 112.275 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -37.51 73.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -81.1 -40.91 23.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.4 tp -54.02 153.63 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 39' ' ' SER . 0.7 OUTLIER -179.13 142.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -39.92 -55.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -86.84 45.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' SER . 15.9 p -118.86 133.23 55.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -85.54 156.91 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 64.7 m-85 -90.45 11.91 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.3 mtt -150.95 -46.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -49.45 -52.34 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -111.2 -64.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 94.0 mt -39.56 -68.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.26 63.41 1.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.8 mt -117.99 157.58 26.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.48 163.08 15.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -53.65 -48.29 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.968 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.51 -22.2 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.5 -29.1 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.199 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 5.6 tm0? -75.75 -37.95 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 54' ' ' GLU . 6.7 p -64.88 -50.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' N ' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -60.6 -39.3 87.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 110.211 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.41 ' O ' ' N ' ' A' ' 58' ' ' ALA . 25.8 mt -57.43 -63.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.472 ' CG2' ' HB2' ' A' ' 72' ' ' ALA . 39.2 mm -40.81 -50.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.37 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 55' ' ' ILE . . . -48.09 -40.43 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.3 mmt -75.04 -35.04 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.417 ' O ' ' CA ' ' A' ' 64' ' ' GLY . 26.4 mt-10 -64.3 -25.21 67.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -92.5 -50.22 5.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 2.2 tp10 -57.05 -26.54 60.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.638 ' CD2' ' CD1' ' A' ' 85' ' ' ILE . 27.1 m-85 -112.06 -20.88 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 71.2 69.27 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE1' ' HE3' ' A' ' 88' ' ' LYS . 15.1 m-85 -138.16 176.01 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -124.48 86.72 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.508 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 16.3 mt -93.58 112.92 58.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 122.766 1.269 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 159.8 52.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -26.34 62.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.428 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.4 -25.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.428 ' N ' HG13 ' A' ' 70' ' ' ILE . 19.1 m-20 -100.81 -50.83 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 56' ' ' ILE . . . -49.19 -31.17 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -73.79 -37.98 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -16.09 63.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 32.3 mt -91.83 110.17 21.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.42 ' HE1' ' NE2' ' A' ' 52' ' ' GLN . 4.0 mmt -129.12 19.99 5.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.31 160.54 26.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.729 1.252 . . . . 0.0 108.332 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 -48.87 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -54.66 -43.88 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.04 -41.96 60.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' TYR . 19.9 mt -66.32 -51.52 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.471 HG21 ' CG2' ' A' ' 20' ' ' VAL . 91.4 t -42.91 -44.87 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.15 -43.53 82.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 28.5 t80 -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.638 ' CD1' ' CD2' ' A' ' 63' ' ' PHE . 5.9 mm -83.74 -62.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.461 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.12 -42.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.99 -50.37 68.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 65' ' ' PHE . 5.6 mmtt -51.06 -36.21 38.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.53 81.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.46 137.25 43.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.23 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 8.4 p -103.2 36.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.228 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.39 39.08 0.96 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -132.03 -54.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.7 m -60.85 109.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.952 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 153.99 -95.8 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 CA-C-O 122.845 1.247 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 -48.99 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.635 2.223 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -108.54 130.2 55.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.06 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t 61.87 142.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.938 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m 62.06 147.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -137.4 95.24 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.024 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.12 142.19 13.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.52 159.51 40.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -136.51 -63.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . 65.21 142.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.491 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER 165.07 -53.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.77 1.272 . . . . 0.0 111.03 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.491 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 64.0 Cg_exo -47.95 161.76 0.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.02 165.88 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.281 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mt -90.59 98.55 11.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 p -135.66 173.25 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.435 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -41.45 -57.74 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 4.6 tt0 -38.9 -58.23 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.77 -46.32 92.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.473 HG21 ' CG2' ' A' ' 85' ' ' ILE . 46.5 mt -51.48 -55.35 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' VAL . 10.1 tt0 -51.62 -68.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . 20.7 t0 -39.06 -45.58 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -62.6 -48.0 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 17' ' ' GLN . 19.3 t -49.74 -30.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' LYS . 1.4 mt -91.51 -40.78 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -54.25 -47.84 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.45 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 74.3 t -67.43 -44.4 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' CD2' HG12 ' A' ' 55' ' ' ILE . 61.7 mt -63.5 -26.01 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' HG3' ' CD2' ' A' ' 35' ' ' LEU . 15.2 mttt -78.68 -45.89 20.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.4 mt -49.78 -26.22 3.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -82.43 103.36 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -52.35 -36.4 53.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -33.85 60.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.417 HG12 ' CD1' ' A' ' 47' ' ' LEU . 66.0 mt -99.45 135.38 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 141.12 22.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.792 1.282 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -46.24 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -44.67 79.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' CD2' ' HG3' ' A' ' 25' ' ' LYS . 2.2 tp -53.4 140.11 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 39' ' ' SER . 0.2 OUTLIER -164.96 146.5 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.1 t -48.36 -41.08 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -108.11 53.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 36' ' ' SER . 98.4 p -115.46 162.48 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.542 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 15.0 t-80 -110.58 147.24 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.495 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 60.1 m-85 -86.75 8.64 21.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.542 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 30.3 mtt -140.65 -68.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 2.7 mmtt -40.25 -69.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.83 -76.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 88.1 mt -40.01 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.71 50.36 1.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.417 ' CD1' HG12 ' A' ' 30' ' ' ILE . 15.5 mt -97.32 -172.95 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -122.48 158.36 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.9 p -52.5 -43.44 65.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.14 -30.55 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.49 -26.92 25.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.7 tm0? -62.39 -38.39 89.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.54 -32.13 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.2 -53.67 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.453 HG12 ' CD2' ' A' ' 24' ' ' LEU . 7.9 mt -47.77 -60.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.449 HD12 ' CD1' ' A' ' 75' ' ' LEU . 16.2 mm -47.17 -63.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -37.52 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -54.84 -43.52 73.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.2 mmt -69.82 -47.89 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.454 ' CD ' ' N ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -53.65 -25.68 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -31.0 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.522 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 53.1 m-85 -111.66 -28.74 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 56.09 2.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 27.5 m-85 -128.03 -171.7 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -140.5 91.59 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.512 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 62.3 mt -92.06 120.28 67.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.817 1.294 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 173.0 11.6 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.389 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -24.53 60.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -24.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.82 -46.19 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -52.99 -29.14 27.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -76.4 -35.45 58.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.222 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -12.53 60.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.449 ' CD1' HD12 ' A' ' 56' ' ' ILE . 28.4 mt -94.36 109.81 21.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 10.5 mmt -130.04 14.03 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.9 158.6 31.75 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 122.763 1.268 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.434 ' CB ' ' CG1' ' A' ' 20' ' ' VAL . 53.2 Cg_endo -69.8 -38.24 7.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -63.96 -33.77 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.22 -27.57 69.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.428 ' O ' ' N ' ' A' ' 84' ' ' TYR . 15.4 mt -80.81 -49.5 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.404 ' CG2' HG23 ' A' ' 20' ' ' VAL . 87.2 t -44.93 -40.8 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.01 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.512 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.1 t80 -64.32 -36.57 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.473 ' CG2' HG21 ' A' ' 16' ' ' ILE . 19.5 mm -74.13 -55.18 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.435 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -49.91 -33.93 18.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.49 -38.58 91.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 89' ' ' LYS . 5.5 mmtt -72.49 -27.74 62.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.546 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 27.07 47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.7 OUTLIER 65.85 96.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 5.2 p -109.55 39.27 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -82.93 47.45 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -143.79 101.65 3.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.5 m -142.74 96.37 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 110.052 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -125.59 -164.75 11.9 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 122.76 1.2 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 73.2 1.42 Allowed 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 89.5 p -84.66 128.92 34.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.022 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.85 83.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.069 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -175.47 164.67 3.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.953 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -142.07 152.41 43.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.956 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.94 -139.1 5.66 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.05 112.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -149.73 164.6 34.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . -137.14 -115.9 1.45 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.495 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 165.95 -54.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.777 1.275 . . . . 0.0 111.038 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.495 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 64.6 Cg_exo -47.95 168.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.95 179.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.72 120.26 40.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.9 p -123.87 176.32 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.354 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.34 -60.27 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.41 -42.26 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.74 -44.36 32.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.447 HG23 ' CG2' ' A' ' 85' ' ' ILE . 19.8 mt -57.68 -53.67 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -51.64 -65.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -43.67 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.431 ' NH1' ' OE2' ' A' ' 62' ' ' GLU . 23.6 mmt85 -66.33 -47.3 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.455 ' CG2' HG23 ' A' ' 82' ' ' VAL . 20.7 t -48.08 -38.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.416 ' N ' HD22 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -78.95 -46.95 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -51.08 -55.71 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 45.1 t -58.06 -49.44 81.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 49.5 mt -57.05 -40.61 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -62.05 -51.38 68.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.1 mt -42.59 -37.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.536 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 4.5 t80 -73.76 99.21 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.94 -40.5 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.23 -37.73 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.473 ' CG1' HD12 ' A' ' 47' ' ' LEU . 43.8 mt -94.79 107.54 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.43 140.23 78.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.829 1.3 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.89 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -28.66 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -96.82 -44.11 7.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.72 117.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.423 1.077 . . . . 0.0 109.384 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.4 ' O ' ' OG ' ' A' ' 39' ' ' SER . 0.1 OUTLIER -156.95 148.12 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.476 ' CG1' ' OE1' ' A' ' 79' ' ' GLN . 10.5 t -42.98 -42.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -108.34 48.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.402 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . 98.7 p -108.5 114.78 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.474 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 18.3 t-80 -73.2 137.58 45.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.412 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 21.4 m-85 -87.23 15.62 6.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.474 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -138.72 -45.79 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -75.65 -70.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 3.8 t0 -66.95 -89.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD2' HG23 ' A' ' 30' ' ' ILE . 4.4 mp -38.83 -65.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.98 64.04 1.19 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.473 HD12 ' CG1' ' A' ' 30' ' ' ILE . 16.1 mt -105.81 179.0 4.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.04 176.67 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -66.7 -45.54 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.8 mt -52.93 -26.11 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.2 -24.49 32.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.391 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 35.3 tp60 -74.78 -38.12 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.437 HG13 ' N ' ' A' ' 54' ' ' GLU . 7.6 p -65.15 -30.06 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.437 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -79.3 -55.84 4.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 30' ' ' ILE . 7.2 mt -43.08 -50.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 24.5 mm -55.56 -56.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 mmt -46.17 -37.79 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.2 -42.47 98.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.6 mmt -76.44 -23.45 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -74.62 -21.05 59.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -94.6 -50.87 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -56.91 -34.69 68.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.561 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 19.7 m-85 -106.06 -5.54 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.57 50.48 48.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 63' ' ' PHE . 9.5 m-85 -113.59 -177.84 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -134.09 83.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 84' ' ' TYR . 10.5 mt -88.67 121.55 69.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 122.818 1.294 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.92 10.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.38 58.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.406 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.14 -25.72 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 1.7 t70 -97.43 -50.14 4.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -49.45 -34.44 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.65 -29.37 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -81.76 -17.48 47.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.461 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.8 mt -89.53 116.86 28.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 10.1 mmt -134.62 15.41 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.22 158.97 31.76 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.809 1.29 . . . . 0.0 108.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.442 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 54.9 Cg_endo -69.66 -41.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.415 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.476 ' OE1' ' CG1' ' A' ' 37' ' ' VAL . 33.8 tp60 -59.89 -36.96 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -43.21 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 84' ' ' TYR . 7.1 mt -63.15 -54.33 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.455 HG23 ' CG2' ' A' ' 20' ' ' VAL . 86.4 t -42.98 -44.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -55.57 -44.33 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 67' ' ' ILE . 34.4 t80 -65.49 -34.64 78.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.542 HD12 ' CD2' ' A' ' 63' ' ' PHE . 17.0 mm -74.56 -63.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 89' ' ' LYS . . . -41.73 -47.62 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -44.52 -51.15 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -55.59 -39.89 71.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER 40.06 38.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.4 OUTLIER 69.73 116.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 92' ' ' TYR . 3.8 p -93.26 15.8 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 90' ' ' ASP . 8.2 m-85 30.99 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.64 140.06 11.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.4 m -67.25 114.16 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.98 154.97 21.78 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 122.803 1.224 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -29.84 23.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.411 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 m -128.69 131.17 47.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 t -141.11 -58.58 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -92.91 90.66 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.51 122.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.73 -166.31 27.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -160.3 171.87 18.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.761 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.92 172.39 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.99 80.64 1.51 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.494 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -46.89 -53.33 27.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.748 1.261 . . . . 0.0 110.984 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.494 ' CD ' ' N ' ' A' ' 8' ' ' MET . 61.6 Cg_exo -47.82 158.23 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.639 2.226 . . . . 0.0 112.4 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -48.02 178.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.374 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mp -111.65 134.2 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.4 p -89.71 -179.18 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.389 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.02 -50.31 47.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -41.87 7.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.35 -40.16 34.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.1 mt -56.1 -55.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.736 . . . . 0.0 109.247 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.03 -64.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -41.92 -41.59 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.6 -49.13 64.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.474 ' CG2' HG21 ' A' ' 82' ' ' VAL . 3.7 t -47.21 -45.75 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.08 -55.49 7.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -42.06 -55.55 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 15.6 t -55.68 -45.31 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.4 ' CB ' HD12 ' A' ' 35' ' ' LEU . 77.6 mt -62.49 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -55.55 -45.87 77.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 30.8 mt -46.97 -29.72 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.32 100.53 8.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -47.12 -39.13 12.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -52.22 -36.87 53.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.6 mt -94.91 113.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.74 139.21 58.09 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 122.76 1.267 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.55 2.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -16.61 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -107.24 -41.58 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD12 ' CB ' ' A' ' 24' ' ' LEU . 1.4 tt -40.28 141.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.452 ' OG ' ' CB ' ' A' ' 39' ' ' SER . 1.4 p -169.2 141.94 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.488 ' CG2' ' OE1' ' A' ' 79' ' ' GLN . 3.7 p -51.16 -20.28 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 39' ' ' SER . 56.6 m-20 -95.9 -44.05 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -33.19 147.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 0.9 OUTLIER -112.24 137.7 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.532 ' N ' ' ND1' ' A' ' 40' ' ' HIS . 6.2 m-30 -61.04 -12.99 13.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 2.0 mtt -126.49 -62.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.567 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 4.4 tttt -36.07 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.23 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -77.21 -75.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.489 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 84.7 mt -38.52 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.44 57.46 1.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 6.8 mt -101.51 163.97 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -89.11 148.8 23.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -45.88 -44.63 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.68 -37.96 19.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.1 -25.82 31.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.6 tm0? -63.77 -41.23 98.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.55 -41.1 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -51.99 65.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.9 mt -45.7 -53.19 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.247 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.479 ' CG2' ' HB1' ' A' ' 72' ' ' ALA . 42.2 mm -57.57 -55.94 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mtt -41.62 -43.54 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.42 72.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.36 -36.17 83.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.448 ' O ' ' CA ' ' A' ' 64' ' ' GLY . 52.0 mt-10 -60.32 -34.7 74.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 110.339 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.68 -35.99 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.462 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 1.3 tm-20 -53.55 -34.24 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.57 ' CZ ' HG23 ' A' ' 85' ' ' ILE . 91.5 m-85 -115.94 -29.2 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 84.77 56.2 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 63' ' ' PHE . 18.0 m-30 -114.38 -5.21 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.6 mt-10 37.56 36.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.562 HG12 ' CE1' ' A' ' 84' ' ' TYR . 4.6 mt -39.63 136.0 1.19 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.739 1.257 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -179.07 2.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.38 -24.71 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.411 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -64.22 -25.37 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' LYS . 3.0 m-20 -99.97 -52.65 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.479 ' HB1' ' CG2' ' A' ' 56' ' ' ILE . . . -47.61 -29.09 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -35.23 44.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -70.08 -15.87 63.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.428 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 25.8 mt -90.2 134.91 33.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 15.7 mmt -129.64 -41.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.502 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -108.04 168.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.845 1.307 . . . . 0.0 108.321 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.502 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.8 Cg_endo -69.68 -30.62 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.488 ' OE1' ' CG2' ' A' ' 37' ' ' VAL . 61.6 tp60 -71.42 -33.28 69.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.216 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -56.02 -43.16 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.443 ' O ' ' N ' ' A' ' 84' ' ' TYR . 4.6 mt -64.17 -52.82 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.382 1.051 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.474 HG21 ' CG2' ' A' ' 20' ' ' VAL . 97.5 t -42.6 -46.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.97 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE1' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -68.39 -34.54 76.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.57 HG23 ' CZ ' ' A' ' 63' ' ' PHE . 11.5 mm -68.02 -63.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -42.76 -34.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.12 -48.9 79.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' ILE . 15.5 mmtt -56.37 -37.2 69.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -57.06 -47.82 80.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -124.52 100.67 6.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.9 p -117.06 37.56 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.48 36.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -139.53 141.51 37.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.384 1.052 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -68.27 -54.91 14.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.55 149.92 7.4 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 122.739 1.188 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 79.02 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.7 t -110.59 141.38 43.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.037 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 -60.26 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.71 99.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -172.61 80.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.012 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.27 124.25 4.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.21 143.75 12.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.46 141.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.963 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.8 -72.64 0.47 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mmt 38.21 66.99 2.28 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 122.841 1.305 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -48.02 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.01 -179.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.27 119.22 38.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.37 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -144.4 165.31 28.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.47 ' CD1' ' CG1' ' A' ' 82' ' ' VAL . 0.5 OUTLIER -47.03 -46.03 21.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -43.36 -29.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.32 -42.88 17.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 13' ' ' LEU . 44.1 mt -57.51 -56.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -52.9 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -47.37 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.1 mmt-85 -60.22 -52.43 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 15.5 t -47.48 -57.05 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -62.47 -51.6 66.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.612 1.195 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -48.15 -48.7 34.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.6 t -64.53 -41.48 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 39.3 mt -64.17 -34.31 77.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mttp -64.42 -47.99 77.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.1 mt -47.51 -28.22 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 3.0 t80 -83.29 101.42 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.18 -38.66 12.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 38.3 mt -97.66 133.35 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -98.14 142.01 23.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.737 1.256 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -46.0 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.389 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -42.0 99.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -77.21 -31.4 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' CB ' ' O ' ' A' ' 31' ' ' ASP . 2.2 tp -55.09 137.64 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.96 135.9 11.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -47.45 -26.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -122.85 53.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.99 132.43 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 43.7 t-80 -76.36 151.3 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.597 ' CD2' ' O ' ' A' ' 76' ' ' MET . 34.3 m-85 -87.66 2.24 51.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.437 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 54.8 mtt -139.67 -51.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.39 -59.68 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.9 -66.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' CD1' ' HA ' ' A' ' 41' ' ' PHE . 90.9 mt -41.35 -83.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.42 54.58 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.417 1.073 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.441 ' CD1' HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -102.82 171.39 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.598 0.822 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' OD2' ' A' ' 51' ' ' ASP . 15.3 t70 -102.86 166.63 10.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 p -48.34 -38.49 19.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.1 mt -54.66 -18.67 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.455 ' OD1' ' CD1' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -78.23 -36.46 47.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' CG1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.87 -47.49 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 57' ' ' MET . 7.9 p -60.2 -35.24 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.83 -51.26 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.455 ' CD1' ' OD1' ' A' ' 51' ' ' ASP . 24.7 mt -48.75 -52.95 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' OE1' ' A' ' 52' ' ' GLN . 25.1 mm -63.66 -51.8 65.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 2.8 mmt -50.75 -22.81 2.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.23 -44.81 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.4 mmt -69.09 -24.38 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.48 -20.53 60.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.87 -45.52 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -43.17 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.462 ' CD2' HD11 ' A' ' 85' ' ' ILE . 75.1 m-85 -112.55 15.56 20.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 59.98 1.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -110.98 -176.93 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.01 77.62 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.561 HG12 ' CE1' ' A' ' 84' ' ' TYR . 4.9 mt -93.06 125.71 53.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.821 1.296 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 166.78 26.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.28 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -24.35 66.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.426 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.63 -26.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' N ' HG13 ' A' ' 70' ' ' ILE . 89.1 m-20 -99.99 -18.75 16.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.47 ' CB ' HG22 ' A' ' 56' ' ' ILE . . . -86.6 -50.6 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' CE ' ' A' ' 76' ' ' MET . 7.2 pt-20 -57.95 -19.25 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.56 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 35.2 mt -82.42 122.7 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 15.5 mmt -134.9 8.28 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.416 ' CA ' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -150.0 164.36 21.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.752 1.263 . . . . 0.0 108.357 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.459 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.7 Cg_endo -69.78 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -58.79 -37.97 77.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.444 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -55.03 -24.0 22.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.7 mt -85.43 -47.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.47 ' CG1' ' CD1' ' A' ' 13' ' ' LEU . 83.1 t -46.83 -48.71 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.62 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.561 ' CE1' HG12 ' A' ' 67' ' ' ILE . 6.2 t80 -67.74 -36.48 80.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.462 HD11 ' CD2' ' A' ' 63' ' ' PHE . 2.8 mm -73.89 -58.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.6 -53.01 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -57.54 -54.11 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -54.18 -20.67 7.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -91.35 -39.38 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.11 -178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 4.0 p -108.11 37.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -128.76 -92.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.34 108.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.357 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.34 -60.95 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.975 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 139.65 155.01 6.47 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 122.792 1.218 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.55 108.81 11.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.963 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 m -142.24 82.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 p -178.47 109.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 0.773 . . . . 0.0 109.972 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.66 107.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.27 -147.67 7.24 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m 179.36 -68.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 0.0 109.998 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.15 125.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 110.07 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.73 62.18 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.487 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.69 -53.54 7.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.808 1.29 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.487 ' CD ' ' N ' ' A' ' 8' ' ' MET . 64.7 Cg_exo -48.01 160.83 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.9 167.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.662 2.241 . . . . 0.0 112.301 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mt -87.95 95.55 10.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.4 p -123.36 169.39 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.451 ' CD1' ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -41.01 -56.62 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.52 -46.53 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.86 -38.68 48.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.21 -54.17 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -54.22 -65.48 0.56 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -41.16 -45.5 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.65 -47.33 85.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.445 ' CG2' HG21 ' A' ' 82' ' ' VAL . 23.6 t -52.15 -39.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -78.49 -41.58 32.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -58.7 -51.34 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 46.3 t -62.97 -44.27 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 63.0 mt -62.97 -29.2 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.223 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -43.57 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.6 mt -45.56 -36.37 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CD2' HD12 ' A' ' 30' ' ' ILE . 1.1 t80 -73.9 99.5 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -47.38 -38.32 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 6.5 mttt -53.29 -37.02 61.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.563 HD12 ' CD2' ' A' ' 27' ' ' TYR . 11.6 mt -91.58 106.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.85 136.21 92.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.827 1.299 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.288 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -18.57 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.236 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -101.71 -40.47 6.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.8 117.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -155.39 135.8 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.414 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.6 m -40.93 -40.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -95.62 49.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 59.7 m -136.9 124.38 22.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.427 ' CG ' ' H ' ' A' ' 41' ' ' PHE . 16.8 t-80 -67.72 -170.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 22.9 m-85 -124.62 -34.52 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.38 -25.63 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.81 -78.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.21 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.53 -78.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 40' ' ' HIS . 38.8 mt -41.46 -67.59 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.54 43.25 2.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.445 ' CD2' ' HB3' ' A' ' 29' ' ' LYS . 8.3 mt -86.97 168.37 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.96 171.5 9.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 m -67.4 -46.37 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' CG1' ' A' ' 53' ' ' VAL . 3.0 mt -52.42 -27.72 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -81.41 -25.07 36.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 7.5 tm0? -73.18 -27.31 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 50' ' ' LEU . 9.3 p -77.4 -27.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' HG11 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -78.2 -49.26 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 12.8 mt -47.59 -53.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.462 ' CD1' HD12 ' A' ' 75' ' ' LEU . 9.0 mm -49.98 -61.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mmt -44.2 -45.89 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.45 -41.66 14.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.1 mmt -70.92 -49.76 42.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.474 ' O ' ' CA ' ' A' ' 64' ' ' GLY . 0.0 OUTLIER -56.24 -24.42 42.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -89.51 -39.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 8.5 tm-20 -70.75 -24.59 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.187 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.559 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 57.2 m-85 -111.57 -30.01 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 87.29 32.08 14.93 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 19.1 m-85 -100.17 -173.53 2.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -142.3 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.566 HG12 ' CE1' ' A' ' 84' ' ' TYR . 47.3 mt -93.85 116.7 66.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.859 1.314 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 159.53 53.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.35 -24.61 56.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.062 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.14 -25.29 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.387 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 70' ' ' ILE . 80.9 m-20 -101.15 -31.83 10.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.93 -31.06 70.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.248 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -72.39 -33.27 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -11.53 60.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 56' ' ' ILE . 16.5 mt -98.51 119.26 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.8 mmt -130.6 4.84 4.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.408 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -149.16 164.75 19.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 122.82 1.295 . . . . 0.0 108.265 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.85 -50.18 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -56.61 -43.62 80.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -31.29 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' TYR . 21.9 mt -77.96 -49.59 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.445 HG21 ' CG2' ' A' ' 20' ' ' VAL . 85.8 t -44.82 -40.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -43.27 94.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.566 ' CE1' HG12 ' A' ' 67' ' ' ILE . 28.3 t80 -63.83 -29.07 70.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.551 HD12 ' CD2' ' A' ' 63' ' ' PHE . 9.6 mm -80.62 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.451 ' CB ' ' CD1' ' A' ' 13' ' ' LEU . . . -40.13 -47.36 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -57.45 -50.21 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -51.62 -37.5 50.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.14 79.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.6 134.19 7.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -91.9 30.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -84.92 44.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -168.76 150.83 4.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.1 p -154.8 129.01 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.083 . . . . 0.0 110.016 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 133.11 155.93 7.94 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 122.725 1.181 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 106.62 1.68 Allowed 'Trans proline' 0 N--CA 1.466 -0.099 0 C-N-CA 122.763 2.308 . . . . 0.0 112.309 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.3 p 47.44 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m 43.21 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.79 HD22 HD12 ' A' ' 16' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.85 -22.75 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.34 -36.87 8.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.79 HD12 HD22 ' A' ' 13' ' ' LEU . 88.9 mt -59.84 -59.04 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.725 . . . . 0.0 109.37 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' VAL . 9.8 tt0 -52.87 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -40.41 -45.6 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -63.51 -44.87 93.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CG2' ' A' ' 82' ' ' VAL . 20.7 t -54.32 -41.13 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -78.76 -50.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -48.31 -49.61 33.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.585 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 25.4 t -61.78 -44.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.603 HD21 HG23 ' A' ' 55' ' ' ILE . 58.0 mt -64.62 -31.5 72.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' LEU . 16.1 mttt -69.14 -47.65 64.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.2 mt -45.18 -26.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -84.11 98.94 10.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -49.43 -39.48 33.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.56 -36.12 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.857 HD11 HD11 ' A' ' 55' ' ' ILE . 49.9 mt -97.08 119.27 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.99 140.5 50.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.739 1.256 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 35' ' ' LEU . 53.2 Cg_endo -69.83 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.58 2.187 . . . . 0.0 112.357 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -51.78 55.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.285 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -68.25 -44.35 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.76 141.93 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.375 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.7 m -165.05 143.17 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.694 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.1 p -45.85 -28.77 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.95 55.88 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.71 118.44 21.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 27.6 t-80 -59.96 175.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.542 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.531 ' HA ' HD12 ' A' ' 45' ' ' LEU . 16.8 m-85 -116.13 -25.4 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.8 mtt -114.81 -24.59 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 2.7 mtpt -87.87 -29.46 20.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.175 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.68 -72.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 41' ' ' PHE . 41.0 mt -55.38 -53.05 61.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 86.19 42.32 6.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 30' ' ' ILE . 13.4 mt -85.07 -177.53 6.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -114.86 161.09 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -50.66 -42.13 56.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.82 -26.12 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -89.08 -28.16 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 34.6 tp60 -66.41 -43.3 86.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.0 -37.42 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.857 HD11 HD11 ' A' ' 30' ' ' ILE . 6.2 mt -42.01 -51.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.785 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.1 mm -57.77 -60.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -29.83 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -63.84 -42.83 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.1 mmt -73.18 -34.06 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.785 ' OE2' HG22 ' A' ' 56' ' ' ILE . 37.0 mt-10 -64.09 -25.56 68.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -94.31 -51.48 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 3.1 tp10 -52.09 -27.35 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 85' ' ' ILE . 36.8 m-85 -112.93 -27.12 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 79.07 69.67 1.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 18.8 m-85 -138.06 -175.23 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 0.726 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 2.5 pt-20 -133.41 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.639 HD12 ' HG3' ' A' ' 60' ' ' GLU . 10.7 mt -92.48 116.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.863 1.316 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.82 159.19 54.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -24.82 63.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.4 -25.63 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.455 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -96.85 -52.45 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.519 ' HB2' HG21 ' A' ' 56' ' ' ILE . . . -48.91 -31.33 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.237 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' HE2' ' A' ' 76' ' ' MET . 11.6 pt-20 -75.33 -31.87 60.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.5 -14.19 59.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 22.7 mt -94.53 115.14 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.459 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 10.5 mmt -128.6 14.46 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -155.57 159.25 31.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.825 1.298 . . . . 0.0 108.27 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.518 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.6 Cg_endo -69.77 -36.21 11.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.694 ' HB2' HG22 ' A' ' 37' ' ' VAL . 61.1 tp60 -66.83 -32.43 73.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.03 -29.83 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 78' ' ' PRO . 10.8 mt -78.65 -49.96 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.553 ' CG2' HG21 ' A' ' 20' ' ' VAL . 98.1 t -43.51 -43.89 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.74 93.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.525 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.3 t80 -64.59 -32.43 74.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.691 HD12 ' CD2' ' A' ' 63' ' ' PHE . 7.7 mm -78.27 -58.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.53 -53.24 48.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 7.7 mmtt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.03 -44.87 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.56 35.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.664 HG21 ' HB ' ' A' ' 85' ' ' ILE . 77.5 mt -57.57 -53.81 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -53.79 -65.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.35 -41.81 4.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.669 HG21 ' CG2' ' A' ' 82' ' ' VAL . 11.1 t -51.65 -49.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -57.26 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -42.92 -46.12 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.626 HG21 ' HG2' ' A' ' 62' ' ' GLU . 6.1 t -66.17 -48.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.722 HD21 HG23 ' A' ' 55' ' ' ILE . 35.7 mt -57.97 -43.18 86.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' ' 27' ' ' TYR . 11.6 mttt -50.57 -47.46 57.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 23' ' ' VAL . 41.5 mt -40.18 -29.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 1.8 t80 -81.72 100.04 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.48 -38.41 43.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -52.27 -33.76 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.009 HD11 HD11 ' A' ' 55' ' ' ILE . 43.8 mt -97.5 131.26 44.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.05 139.11 21.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.837 1.304 . . . . 0.0 109.267 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -45.75 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -23.13 62.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 12.4 mtpp -93.8 -51.13 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 36' ' ' SER . 4.3 tt -39.42 149.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.704 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -158.78 129.46 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.054 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 79' ' ' GLN . 8.3 p -39.7 -30.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 36' ' ' SER . 8.4 t-20 -121.64 61.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.36 134.03 45.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 76' ' ' MET . 28.8 t-80 -80.0 141.6 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.546 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.732 ' HA ' HD12 ' A' ' 45' ' ' LEU . 72.0 m-85 -80.51 -10.65 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.2 mtt -127.08 -40.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -91.78 23.93 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -156.81 -68.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 41' ' ' PHE . 32.4 mt -65.83 -67.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.01 32.85 1.46 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.181 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.66 HD13 ' OD2' ' A' ' 51' ' ' ASP . 5.2 mt -88.66 165.59 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -97.14 176.91 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.8 m -59.74 -42.36 93.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -47.38 -37.46 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.66 ' OD2' HD13 ' A' ' 47' ' ' LEU . 7.5 t70 -73.15 -33.86 65.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.0 tm0? -61.03 -43.12 99.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.41 -47.96 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.32 -54.59 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 1.009 HD11 HD11 ' A' ' 30' ' ' ILE . 15.4 mt -51.03 -51.54 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.35 -63.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' GLU . 9.8 mtt -40.89 -50.53 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.82 -47.59 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.6 mmt -68.35 -33.78 74.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' MET . 39.3 mt-10 -65.83 -21.0 66.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -100.98 -50.38 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.626 ' HG2' HG21 ' A' ' 23' ' ' VAL . 15.2 tp10 -51.91 -35.68 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CD2' HD12 ' A' ' 85' ' ' ILE . 32.5 m-85 -107.67 -20.5 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.59 59.35 3.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 22.4 m-85 -128.38 167.11 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.68 85.11 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.524 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 22.0 mt -88.79 126.35 59.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.75 1.262 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -179.54 2.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -24.69 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -66.12 -24.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -97.84 -52.23 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -49.53 -27.14 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -80.13 -32.23 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -80.83 -18.27 47.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 32.6 mt -88.15 116.11 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.559 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 10.3 mmt -134.42 14.89 3.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.26 158.23 31.45 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.771 1.272 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.556 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.0 Cg_endo -69.8 -38.46 7.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.607 2.205 . . . . 0.0 112.378 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.749 ' HB2' HG22 ' A' ' 37' ' ' VAL . 33.2 tp60 -62.62 -33.36 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.82 89.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.334 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 78' ' ' PRO . 8.8 mt -68.32 -52.21 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.669 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.0 t -42.63 -47.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -43.52 76.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 8.9 t80 -66.75 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.693 HD12 ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.36 -57.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -39.87 -46.62 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.06 -51.25 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 85' ' ' ILE . 10.8 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -45.62 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.91 -33.43 55.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.667 HG21 ' HB ' ' A' ' 85' ' ' ILE . 50.3 mt -65.59 -53.99 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -52.46 -61.29 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -42.26 8.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -66.56 -43.15 85.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.71 HG21 ' CG2' ' A' ' 82' ' ' VAL . 4.6 t -54.41 -50.47 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.703 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.5 -44.8 73.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -55.67 -50.61 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 24.5 t -62.22 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.767 ' CB ' HD11 ' A' ' 35' ' ' LEU . 61.8 mt -61.61 -34.05 74.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HG3' HD13 ' A' ' 35' ' ' LEU . 2.8 mttp -68.52 -40.25 80.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.19 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -50.24 -32.7 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.99 -33.63 57.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 10.5 mttp -58.83 -26.59 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.552 HD13 HD22 ' A' ' 24' ' ' LEU . 77.6 mt -101.9 111.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.06 135.52 70.18 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.811 1.291 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -17.76 8.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -104.93 -41.49 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.767 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.7 tt -42.06 119.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.69 144.02 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.943 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 p -55.41 -22.3 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -126.95 56.48 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.78 145.08 50.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 16.1 t-80 -88.49 144.04 26.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.514 ' CD1' HD12 ' A' ' 45' ' ' LEU . 16.8 m-30 -88.2 -3.12 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mtt -118.61 -35.46 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -86.37 -69.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -83.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.514 HD12 ' CD1' ' A' ' 41' ' ' PHE . 29.2 mt -41.22 -57.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.47 4.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 30' ' ' ILE . 2.2 mt -96.72 -176.12 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' A' ' 50' ' ' LEU . 2.7 m-20 -113.94 171.99 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.97 -46.38 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 0.0 110.074 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.875 ' O ' HG12 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -49.85 -36.21 26.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -77.95 -26.32 48.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' SER . 7.4 tm0? -71.44 -34.93 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.875 HG12 ' O ' ' A' ' 50' ' ' LEU . 7.5 p -68.99 -27.52 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -37.08 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.593 HG23 HD21 ' A' ' 24' ' ' LEU . 31.8 mt -62.02 -51.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.53 -59.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 mmt -43.9 -39.76 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -55.01 -45.36 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.43 ' HG3' HG21 ' A' ' 81' ' ' ILE . 22.4 mmt -70.83 -34.15 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -20.79 65.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.74 -52.95 3.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.525 ' OE1' ' CE1' ' A' ' 63' ' ' PHE . 7.2 tm-20 -53.5 -32.43 50.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.546 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 25.3 m-85 -105.7 -24.57 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 52.7 8.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 15.8 m-85 -121.12 -176.63 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -135.4 86.33 2.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -89.99 125.09 61.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.77 1.272 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.6 16.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.607 2.205 . . . . 0.0 112.322 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.11 -24.52 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.33 -25.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' CB ' HG23 ' A' ' 67' ' ' ILE . 0.8 OUTLIER -94.76 -50.23 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -48.19 -32.56 7.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.35 -32.2 54.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -80.62 -11.73 59.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.1 mt -94.58 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 11.6 mmt -131.93 17.06 4.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.51 159.62 30.67 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 122.84 1.305 . . . . 0.0 108.174 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.463 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.77 -42.27 3.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.621 2.214 . . . . 0.0 112.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -61.27 -35.8 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.9 -43.48 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' TYR . 16.0 mt -63.18 -54.54 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.065 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.71 ' CG2' HG21 ' A' ' 20' ' ' VAL . 94.7 t -42.83 -44.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.15 -45.55 72.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.522 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.1 t80 -65.36 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.667 ' HB ' HG21 ' A' ' 16' ' ' ILE . 17.4 mm -75.18 -62.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.532 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.54 -41.58 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.67 65.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ILE . 3.0 mmtp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.378 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.61 -43.36 25.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.18 -34.31 46.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.724 HG21 ' HB ' ' A' ' 85' ' ' ILE . 65.2 mt -63.99 -54.59 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.29 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -45.38 -46.3 13.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -60.8 -47.93 84.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.684 HG12 HD23 ' A' ' 21' ' ' LEU . 13.0 t -50.64 -54.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.74 -52.78 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -48.06 -53.68 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.977 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 35.9 t -57.42 -41.97 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.891 HD21 HG23 ' A' ' 55' ' ' ILE . 72.2 mt -65.31 -42.32 93.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' TYR . 29.1 mttt -57.53 -43.75 84.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 23' ' ' VAL . 87.9 mt -44.39 -27.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.7 t80 -86.34 101.1 12.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.72 -39.1 50.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -50.85 -28.62 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.888 HG12 HD11 ' A' ' 47' ' ' LEU . 56.2 mt -103.6 127.37 57.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.89 135.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.828 1.299 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.69 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -29.97 11.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . 16.4 mttm -91.92 -51.65 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.842 HD23 ' N ' ' A' ' 36' ' ' SER . 4.5 tt -40.31 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.842 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -163.8 129.5 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 79' ' ' GLN . 8.4 p -39.95 -30.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' SER . 41.9 m-20 -120.62 60.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -139.49 141.64 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.446 ' ND1' ' N ' ' A' ' 42' ' ' MET . 62.2 t-80 -75.59 173.98 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.879 ' HA ' HD12 ' A' ' 45' ' ' LEU . 69.1 m-85 -103.79 10.36 36.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.446 ' N ' ' ND1' ' A' ' 40' ' ' HIS . 62.2 mtt -144.65 -44.81 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -52.47 -49.76 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 3.8 t70 -108.51 -65.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 41' ' ' PHE . 88.6 mt -42.37 -77.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.73 57.08 0.7 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.888 HD11 HG12 ' A' ' 30' ' ' ILE . 20.4 mt -109.04 -171.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.7 165.57 20.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 p -53.84 -39.7 65.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.072 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.09 -28.42 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.664 ' OD2' HD22 ' A' ' 47' ' ' LEU . 3.3 m-20 -87.67 -24.74 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.172 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 35.4 tp60 -64.81 -35.68 81.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.35 -32.51 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -56.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.891 HG23 HD21 ' A' ' 24' ' ' LEU . 5.8 mt -44.46 -54.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.422 HG13 ' HB1' ' A' ' 72' ' ' ALA . 25.3 mm -56.11 -54.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.9 mmm -49.07 -27.47 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.977 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -66.99 -40.75 87.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.408 ' HG3' HG21 ' A' ' 81' ' ' ILE . 14.2 mmt -79.95 -22.06 43.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.82 -20.55 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -96.82 -44.78 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.36 -43.85 96.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 16' ' ' ILE . 68.1 m-85 -103.69 11.06 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.9 58.5 1.51 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.4 m-85 -116.18 -175.37 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -138.36 84.48 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.519 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 7.9 mt -89.52 121.52 69.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.836 1.303 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 162.45 41.99 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -24.69 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.3 -25.15 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -96.48 -51.54 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -47.08 -32.81 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' ' HE2' ' A' ' 76' ' ' MET . 21.5 pt-20 -75.44 -35.14 60.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -76.42 -17.8 59.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 34.8 mt -90.0 114.71 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.457 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 6.3 mmt -132.49 19.67 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.27 159.17 18.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.764 1.269 . . . . 0.0 108.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.5 Cg_endo -69.8 -40.74 4.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.469 ' HB2' HG22 ' A' ' 37' ' ' VAL . 5.0 tp60 -60.01 -38.96 84.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 78' ' ' PRO . 22.3 mt -72.94 -51.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.674 ' CG2' HG21 ' A' ' 20' ' ' VAL . 93.1 t -44.6 -40.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 31.7 t80 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.724 ' HB ' HG21 ' A' ' 16' ' ' ILE . 19.6 mm -74.58 -61.9 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.516 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.55 -56.76 2.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.72 -55.54 11.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.64 HD11 ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.23 -21.47 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.17 -23.96 42.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.699 HG21 ' HB ' ' A' ' 85' ' ' ILE . 40.1 mt -72.23 -56.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -51.87 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.35 -48.11 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -59.88 -51.7 68.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.668 HG12 HD23 ' A' ' 21' ' ' LEU . 4.0 t -46.86 -49.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -70.44 -53.91 14.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -44.43 -52.97 7.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.535 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 50.5 t -58.63 -44.05 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CB ' HD11 ' A' ' 35' ' ' LEU . 49.1 mt -62.52 -42.79 99.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 27' ' ' TYR . 7.2 mttp -58.2 -45.44 87.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.221 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -45.21 -26.57 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HB3' HD12 ' A' ' 30' ' ' ILE . 2.2 t80 -86.37 97.52 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.52 -50.73 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -40.51 -39.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.528 HD11 HD11 ' A' ' 55' ' ' ILE . 14.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.34 136.97 19.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.758 1.266 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.62 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -16.21 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.2 mttt -100.86 -49.76 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.927 HD23 ' N ' ' A' ' 36' ' ' SER . 5.3 tt -39.51 152.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.927 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -165.59 129.72 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.2 p -40.36 -29.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 36' ' ' SER . 9.5 t-20 -118.98 58.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.24 121.65 20.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 38.2 t-80 -66.88 151.17 48.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.85 ' HA ' HD12 ' A' ' 45' ' ' LEU . 87.7 m-85 -87.65 3.01 49.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.42 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 36.7 mtt -138.61 -44.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.77 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.04 -71.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' A' ' 41' ' ' PHE . 54.5 mt -54.56 -68.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.69 45.01 1.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.414 HD11 ' CG1' ' A' ' 30' ' ' ILE . 11.6 mt -94.2 176.99 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.01 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -63.43 -50.49 69.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' O ' HG12 ' A' ' 53' ' ' VAL . 11.9 mt -51.87 -23.62 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.3 m-20 -89.06 -26.84 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' SER . 15.2 tm0? -79.26 -30.05 42.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 50' ' ' LEU . 8.9 p -73.71 -40.67 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -49.78 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 51' ' ' ASP . 8.3 mt -47.73 -56.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.448 HG21 ' HB2' ' A' ' 72' ' ' ALA . 5.3 mm -51.7 -54.59 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.37 -32.52 11.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -63.3 -40.94 98.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.17 -28.61 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.29 -23.72 63.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.66 -49.29 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 12.2 tm-20 -52.09 -27.46 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.658 ' CD2' HD12 ' A' ' 85' ' ' ILE . 31.3 m-85 -114.65 -27.51 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.91 61.77 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 17.0 m-85 -126.84 -174.74 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -133.31 84.9 2.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 30.3 mt -94.49 114.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.791 1.282 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.2 Cg_endo -69.77 163.78 37.0 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.94 -25.43 68.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -96.16 -54.67 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB2' HG21 ' A' ' 56' ' ' ILE . . . -46.45 -37.21 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.86 -36.63 83.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.63 -12.23 60.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.372 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -98.09 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.417 ' HB3' ' NE2' ' A' ' 40' ' ' HIS . 9.5 mmt -132.65 18.32 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.72 159.43 31.33 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.756 1.265 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.5 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.5 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HB2' HG22 ' A' ' 37' ' ' VAL . 2.0 tm0? -54.9 -37.12 65.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.19 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 78' ' ' PRO . 10.6 mt -63.22 -53.57 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.59 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.7 t -42.52 -45.76 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.91 -43.93 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.4 t80 -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.699 ' HB ' HG21 ' A' ' 16' ' ' ILE . 6.6 mm -80.73 -62.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.64 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -40.14 -37.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.63 -50.55 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 7.0 mmtt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 86' ' ' ALA . 1.1 mm? . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -42.56 -35.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.69 -41.5 74.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.619 HD12 HD13 ' A' ' 13' ' ' LEU . 74.5 mt -57.19 -52.81 51.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.579 0.811 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 20' ' ' VAL . 6.5 tt0 -54.42 -66.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.69 -44.08 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -63.09 -47.88 80.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.703 HG12 HD23 ' A' ' 21' ' ' LEU . 4.2 t -51.22 -46.77 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.703 HD23 HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -73.34 -51.32 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -47.95 -48.88 31.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.857 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 41.5 t -63.22 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.719 HD21 HG23 ' A' ' 55' ' ' ILE . 75.5 mt -65.69 -30.4 71.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 5.1 mttt -65.29 -42.14 93.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt -47.92 -30.1 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.1 t80 -80.84 98.9 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.01 -44.41 9.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -47.35 -37.29 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.45 HD11 HD11 ' A' ' 55' ' ' ILE . 33.2 mt -92.99 109.08 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.24 138.32 75.27 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 122.838 1.304 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -45.25 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -17.58 49.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.46 -42.11 6.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 24' ' ' LEU . 4.1 tt -40.09 122.35 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -140.49 139.75 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.3 p -50.4 -26.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.05 55.85 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -124.14 139.5 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 15.9 t-80 -89.58 152.0 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.678 ' HA ' HD12 ' A' ' 45' ' ' LEU . 71.2 m-85 -88.21 3.2 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.7 mtt -139.81 -48.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -55.17 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -83.28 -71.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 41' ' ' PHE . 75.0 mt -40.01 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.53 46.37 1.98 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mt -93.23 -170.87 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -114.11 163.09 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.7 OUTLIER -57.48 -42.38 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.876 ' O ' HG12 ' A' ' 53' ' ' VAL . 4.2 mp -52.51 -33.91 47.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 55' ' ' ILE . 6.1 m-20 -74.52 -22.95 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 6.1 tm0? -73.93 -38.98 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 50' ' ' LEU . 9.3 p -65.71 -27.7 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.95 -47.07 12.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.719 HG23 HD21 ' A' ' 24' ' ' LEU . 10.1 mt -51.5 -47.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.62 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.4 mm -61.78 -52.31 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -26.59 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.857 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -68.44 -41.83 79.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.418 ' HG3' HG21 ' A' ' 81' ' ' ILE . 18.7 mmt -77.27 -23.13 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.62 ' OE2' HG22 ' A' ' 56' ' ' ILE . 38.8 mt-10 -76.7 -23.28 53.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -97.21 -48.01 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HG3' HG21 ' A' ' 23' ' ' VAL . 4.0 tm-20 -54.55 -41.86 70.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.439 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 76.6 m-85 -109.77 15.29 22.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 63.56 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 88' ' ' LYS . 4.5 m-85 -122.71 -178.21 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.55 91.92 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -97.85 119.48 62.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.752 1.263 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.13 28.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -24.34 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -70.79 -25.32 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -101.21 -41.87 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.75 -22.79 64.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' HE2' ' A' ' 76' ' ' MET . 22.8 pt-20 -82.16 -33.4 29.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' A' ' 80' ' ' GLU . 17.9 mt -96.85 116.25 28.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.45 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 5.9 mmt -133.12 7.94 4.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.03 161.15 33.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.846 1.307 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.516 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.0 Cg_endo -69.82 -37.88 8.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.742 2.295 . . . . 0.0 112.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HB2' HG22 ' A' ' 37' ' ' VAL . 2.0 tp-100 -64.78 -35.14 80.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.489 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -61.15 -32.76 72.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 78' ' ' PRO . 14.8 mt -74.14 -52.04 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.665 ' CG2' HG21 ' A' ' 20' ' ' VAL . 92.5 t -44.75 -40.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.72 -41.53 99.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 13.5 t80 -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 9.6 mm -72.08 -61.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -39.93 -56.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -50.24 53.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.234 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -46.98 -41.5 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.76 -41.27 29.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.585 HG21 ' HB ' ' A' ' 85' ' ' ILE . 33.8 mt -58.16 -56.12 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -51.08 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -43.71 -46.63 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -60.68 -51.99 67.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.758 HG21 ' CG2' ' A' ' 82' ' ' VAL . 17.4 t -44.01 -39.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -76.7 -41.45 45.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.85 -55.26 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.516 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 69.7 t -57.64 -40.87 77.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.703 HD22 HD13 ' A' ' 30' ' ' ILE . 70.9 mt -68.14 -34.9 77.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.4 mttt -64.08 -45.94 86.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.42 -25.56 4.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.5 t80 -82.54 98.79 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.78 -40.64 9.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.591 1.182 . . . . 0.0 109.37 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.06 -37.53 46.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.703 HD13 HD22 ' A' ' 24' ' ' LEU . 29.9 mt -96.21 103.09 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.87 138.84 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.786 1.279 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.77 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.5 -14.66 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -106.69 -39.69 5.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 24' ' ' LEU . 2.0 tt -40.52 122.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.39 143.86 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' CG ' ' A' ' 79' ' ' GLN . 2.6 p -54.31 -20.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -124.96 59.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -123.71 129.98 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 46.3 t-80 -74.79 146.4 42.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.643 ' HE2' HG21 ' A' ' 55' ' ' ILE . 4.2 m-30 -83.81 8.02 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.428 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 29.0 mtt -144.86 -56.91 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -40.63 -62.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 41' ' ' PHE . 82.0 mt -40.56 -56.4 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.45 44.01 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.61 164.15 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -100.34 174.41 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 p -62.28 -50.12 72.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 53' ' ' VAL . 9.2 mt -51.73 -23.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.528 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.1 m-20 -88.95 -26.71 21.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 14.2 tm0? -78.68 -30.38 46.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 50' ' ' LEU . 8.4 p -73.01 -39.24 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -44.87 75.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.643 HG21 ' HE2' ' A' ' 41' ' ' PHE . 13.1 mt -51.66 -54.2 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.447 HG13 ' HB1' ' A' ' 72' ' ' ALA . 14.8 mm -49.89 -62.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.47 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -52.38 -47.17 66.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ILE . 17.4 mmt -67.41 -37.74 83.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -61.96 -19.2 62.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -98.94 -53.21 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -52.81 -37.13 59.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 48.6 m-85 -104.26 -13.05 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.16 52.84 44.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.656 ' HE2' HG23 ' A' ' 85' ' ' ILE . 10.3 m-85 -117.82 178.57 4.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 85.67 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.523 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 5.8 mt -93.22 121.79 64.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.805 1.288 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.66 30.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.743 2.295 . . . . 0.0 112.295 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -24.6 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -68.71 -25.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.481 ' CB ' HG23 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -97.23 -46.95 5.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -53.23 -28.1 25.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' O ' ' HE2' ' A' ' 76' ' ' MET . 9.4 pt-20 -77.11 -34.53 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -11.13 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 72' ' ' ALA . 17.9 mt -95.36 117.75 30.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.538 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 17.2 mmt -124.63 -38.76 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.433 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -104.83 165.2 13.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 122.755 1.264 . . . . 0.0 108.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.83 -39.04 6.84 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.462 ' CG ' ' CG2' ' A' ' 37' ' ' VAL . 1.1 tm0? -67.06 -28.68 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.37 -50.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.758 ' CG2' HG21 ' A' ' 20' ' ' VAL . 94.4 t -45.16 -43.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.223 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -46.77 65.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.523 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.0 t80 -65.78 -37.6 86.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.656 HG23 ' HE2' ' A' ' 65' ' ' PHE . 31.4 mm -66.19 -61.99 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.525 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -39.3 -57.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -44.59 -53.66 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.703 HD13 HD12 ' A' ' 16' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -50.48 -23.69 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.81 -31.9 22.71 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.703 HD12 HD13 ' A' ' 13' ' ' LEU . 49.0 mt -67.7 -56.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -49.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -41.94 -49.95 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mmt-85 -59.22 -52.78 64.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.697 HG21 ' CG2' ' A' ' 82' ' ' VAL . 24.0 t -43.66 -49.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -73.56 -57.0 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -38.84 -53.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 26' ' ' LEU . 83.8 t -59.22 -51.38 73.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 30' ' ' ILE . 75.1 mt -54.98 -34.2 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -69.01 -42.41 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 23' ' ' VAL . 37.1 mt -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.02 104.36 10.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -52.4 -37.44 56.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 1.3 mtpt -53.44 -32.11 48.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.623 HD13 HD22 ' A' ' 24' ' ' LEU . 59.7 mt -96.25 141.29 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 137.32 19.19 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 122.817 1.294 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.76 72.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -81.36 -43.33 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.835 HD12 ' H ' ' A' ' 36' ' ' SER . 1.4 tp -48.61 154.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.835 ' H ' HD12 ' A' ' 35' ' ' LEU . 2.1 m -174.95 144.74 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 79' ' ' GLN . 4.2 p -47.4 -25.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' SER . 3.0 m120 -129.88 65.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.11 117.25 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.26 168.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.806 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.7 m-30 -103.09 11.39 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.5 mtt -143.66 -47.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 1.8 pttt -55.26 -50.71 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 22.0 t0 -100.14 -64.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 41' ' ' PHE . 80.5 mt -50.53 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.13 40.13 1.72 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.568 HD11 HG12 ' A' ' 30' ' ' ILE . 4.7 mt -94.03 -170.01 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.72 174.05 9.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 15.5 p -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.4 mt -50.69 -27.06 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.539 ' OD2' HD22 ' A' ' 47' ' ' LEU . 11.7 m-20 -87.67 -27.71 22.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 33.9 tp60 -62.15 -37.4 85.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.77 -37.05 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -49.3 49.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 15.5 mt -52.54 -62.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.509 HG13 ' HB1' ' A' ' 72' ' ' ALA . 10.3 mm -50.64 -57.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 mmt -41.84 -39.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.611 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -59.29 -46.65 87.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.502 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 16.1 mmt -66.46 -34.98 79.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.76 -18.39 59.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -99.45 -52.88 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 2.2 mm-40 -52.52 -31.4 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 37.3 m-85 -108.15 -22.18 12.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 58.91 5.99 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 88' ' ' LYS . 14.0 m-85 -126.0 -176.11 3.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 0.797 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -132.15 84.71 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' A' ' 71' ' ' ASP . 9.1 mt -92.74 116.92 67.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.844 1.307 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.73 161.65 45.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.39 -24.83 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -68.32 -25.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.532 ' HB3' HG23 ' A' ' 67' ' ' ILE . 1.3 m-20 -96.5 -52.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -49.76 -30.5 9.6 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.612 1.195 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 76' ' ' MET . 18.9 pt-20 -76.4 -29.97 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.29 -14.98 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 22.2 mt -92.38 116.88 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.497 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 25.9 mmt -119.02 -26.55 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.4 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -121.34 163.22 31.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 0.0 108.371 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.422 ' HB2' ' CG1' ' A' ' 20' ' ' VAL . 53.6 Cg_endo -69.82 -39.84 5.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.425 ' HB2' HG22 ' A' ' 37' ' ' VAL . 4.3 tp60 -54.19 -48.86 70.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.437 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -48.8 -41.13 31.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 56.0 mt -64.45 -47.85 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.697 ' CG2' HG21 ' A' ' 20' ' ' VAL . 93.9 t -52.81 -40.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.6 t80 -61.72 -61.18 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.604 ' HB ' HG21 ' A' ' 16' ' ' ILE . 27.4 mm -39.33 -58.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB2' HD21 ' A' ' 13' ' ' LEU . . . -39.75 -55.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mmtt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -51.83 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.04 -37.15 64.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.566 HG21 ' HB ' ' A' ' 85' ' ' ILE . 94.2 mt -57.21 -57.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.5 tt0 -54.5 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -40.02 -46.6 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.213 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -60.2 -48.26 82.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.648 HG21 ' CG2' ' A' ' 82' ' ' VAL . 18.8 t -51.68 -39.19 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 21' ' ' LEU . 1.1 mt -78.67 -48.58 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -52.12 -46.8 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.597 HG21 ' HG2' ' A' ' 62' ' ' GLU . 56.2 t -67.47 -48.29 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.851 ' CB ' HD11 ' A' ' 35' ' ' LEU . 38.8 mt -58.3 -27.21 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 27' ' ' TYR . 5.7 mttt -72.06 -45.92 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 mt -43.5 -27.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.4 t80 -82.77 97.47 8.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 111.06 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -45.66 -42.83 11.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -48.94 -37.85 21.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 55' ' ' ILE . 13.2 mt -92.29 108.2 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.5 138.43 93.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.772 1.273 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.4 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -19.73 57.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -97.62 -42.01 7.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.851 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -43.05 104.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.41 136.54 41.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.465 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 1.1 m -45.44 -40.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -101.95 51.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.47 118.53 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -70.37 146.48 50.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 14.9 m-85 -84.55 -4.71 59.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 -47.63 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -69.91 -60.92 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -85.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -42.11 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.6 57.37 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 30' ' ' ILE . 7.8 mt -100.26 -170.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 0.811 . . . . 0.0 109.363 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -119.32 155.6 31.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -51.5 -45.06 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.43 -33.47 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.63 -26.56 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.4 tm0? -64.71 -46.22 83.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.09 -31.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -51.55 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.736 HG23 HD21 ' A' ' 24' ' ' LEU . 8.8 mt -45.87 -43.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 72' ' ' ALA . 13.0 mm -64.94 -59.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.398 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.9 mtt -40.74 -52.31 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -44.96 -52.53 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.48 -35.2 75.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' OE2' HG22 ' A' ' 56' ' ' ILE . 36.8 mt-10 -66.25 -21.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -99.31 -50.92 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.597 ' HG2' HG21 ' A' ' 23' ' ' VAL . 25.9 tp10 -52.02 -29.26 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.669 ' CD2' HD12 ' A' ' 85' ' ' ILE . 35.1 m-85 -112.4 -25.0 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.99 73.47 1.08 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.0 m-85 -139.96 -177.34 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -134.22 80.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.523 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 9.6 mt -91.08 117.77 68.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.815 1.293 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.69 26.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -24.5 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.372 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 2.1 pt -65.6 -28.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.501 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -97.12 -54.22 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -46.69 -35.7 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -69.06 -36.22 77.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -72.85 -13.5 61.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 72' ' ' ALA . 16.2 mt -94.97 116.42 28.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmt -127.27 5.14 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 161.13 43.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.793 1.282 . . . . 0.0 108.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.76 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.1 Cg_endo -69.77 -50.27 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -54.3 -37.6 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -37.35 69.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 78' ' ' PRO . 7.3 mt -69.31 -51.69 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.648 ' CG2' HG21 ' A' ' 20' ' ' VAL . 76.0 t -43.25 -47.28 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -51.97 -45.09 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.523 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -66.33 -31.43 72.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.669 HD12 ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.74 -59.22 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -44.55 -53.07 7.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -46.85 29.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.54 -29.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -74.82 -61.82 2.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.715 HD12 HD22 ' A' ' 13' ' ' LEU . 15.6 mt -40.47 -54.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 9.7 tt0 -47.86 -65.2 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 8.1 t0 -38.42 -60.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.47 -58.01 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.738 HG21 ' CG2' ' A' ' 82' ' ' VAL . 50.7 t -39.85 -31.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.8 mt -89.88 -52.72 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -46.33 -40.15 11.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.719 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 48.5 t -74.97 -50.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.706 HD22 HD13 ' A' ' 30' ' ' ILE . 14.5 mt -52.21 -28.69 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' HD23 ' A' ' 35' ' ' LEU . 19.4 mttt -74.09 -46.74 41.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 mt -40.92 -36.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -72.48 106.85 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.16 -20.78 43.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -70.31 -33.36 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.391 1.057 . . . . 0.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.706 HD13 HD22 ' A' ' 24' ' ' LEU . 51.2 mt -95.5 143.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.93 141.4 22.47 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 122.827 1.299 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -46.44 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.765 2.31 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -34.07 73.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.8 -40.95 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -50.47 146.97 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.553 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -170.31 143.62 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.4 p -48.92 -27.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -122.75 59.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.09 112.34 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -59.06 167.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.866 ' HA ' HD12 ' A' ' 45' ' ' LEU . 9.8 m-30 -99.0 6.88 46.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.3 mtt -139.9 -45.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 8.9 pttt -57.36 -51.24 70.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 6.6 t70 -99.51 -65.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 41' ' ' PHE . 95.4 mt -49.76 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.36 39.39 1.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.525 HD11 HG12 ' A' ' 30' ' ' ILE . 2.5 mt -95.0 -173.81 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -122.35 170.81 9.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -60.9 -42.72 98.56 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.382 1.052 . . . . 0.0 109.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.22 -33.69 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -86.02 -27.8 24.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.1 tm0? -62.75 -44.09 97.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.62 -31.28 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -46.29 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.507 ' CG2' HD21 ' A' ' 24' ' ' LEU . 10.2 mt -55.38 -47.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' MET . 11.1 mm -56.05 -60.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mmt -39.93 -45.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.719 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -51.65 -46.43 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.457 ' HG3' HD13 ' A' ' 81' ' ' ILE . 19.2 mmt -71.39 -25.3 62.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' CG ' HD12 ' A' ' 67' ' ' ILE . 42.4 mt-10 -73.35 -20.92 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.02 -49.74 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.513 ' OE2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -52.47 -36.82 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CD2' HD12 ' A' ' 85' ' ' ILE . 30.6 m-85 -105.44 -19.19 13.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.33 73.08 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.5 m-85 -139.56 -172.26 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -138.13 84.12 2.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.515 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 6.2 mt -89.35 118.64 69.29 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.794 1.283 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.68 30.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -24.5 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -69.18 -24.63 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' HB3' HG23 ' A' ' 67' ' ' ILE . 2.0 m-20 -96.36 -50.32 4.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -50.21 -33.36 19.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' O ' ' HE3' ' A' ' 76' ' ' MET . 13.0 pt-20 -72.16 -32.87 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -16.96 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 25.5 mt -90.59 120.1 31.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.484 ' HE3' ' O ' ' A' ' 73' ' ' GLU . 23.1 mmt -125.33 -38.94 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.431 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -105.84 164.97 13.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.816 1.293 . . . . 0.0 108.245 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.3 Cg_endo -69.75 -39.25 6.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.613 2.209 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HB2' HG22 ' A' ' 37' ' ' VAL . 1.6 tp60 -63.52 -31.5 72.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -60.16 -34.35 73.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 59' ' ' MET . 55.9 mt -73.78 -50.74 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.738 ' CG2' HG21 ' A' ' 20' ' ' VAL . 89.3 t -43.5 -43.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -56.45 -44.32 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.087 . . . . 0.0 109.225 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.515 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 38.8 t80 -64.79 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.634 HD12 ' CD2' ' A' ' 63' ' ' PHE . 16.5 mm -73.52 -59.56 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.734 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -39.68 -45.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.01 -50.81 63.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.496 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mmtt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.615 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.56 -31.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.05 -57.05 5.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.8 mt -42.89 -56.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 8.2 tt0 -48.68 -67.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.4 t0 -42.16 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 5.2 mpt_? -39.05 -60.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG12 HD23 ' A' ' 21' ' ' LEU . 4.5 t -39.56 -44.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -77.42 -56.88 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -38.82 -47.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.578 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 29.0 t -63.06 -46.46 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 55' ' ' ILE . 59.3 mt -56.16 -41.46 75.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -61.06 -50.73 72.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 mt -41.71 -31.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.71 97.03 6.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.7 -36.31 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.16 -33.6 41.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.764 HD11 HD11 ' A' ' 55' ' ' ILE . 58.6 mt -102.96 134.09 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.32 138.32 28.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.812 1.292 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 -47.78 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -25.6 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -88.81 -36.13 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' H ' ' A' ' 36' ' ' SER . 2.8 tp -57.59 156.67 7.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.66 ' H ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER 174.41 146.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.973 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -48.5 -41.52 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -98.99 49.12 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.065 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.58 98.69 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 25.9 t-80 -58.48 155.98 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 10.8 m-85 -90.8 -15.43 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.436 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -122.21 -46.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 17.8 mttt -67.84 -13.52 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.74 -81.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 41' ' ' PHE . 89.3 mt -43.66 -40.18 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.87 0.96 89.08 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.844 HD13 ' OD2' ' A' ' 51' ' ' ASP . 3.9 mt -50.13 157.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 56.6 p30 -96.74 164.78 12.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -45.7 -39.88 8.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.912 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.4 mt -47.18 -33.37 5.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.844 ' OD2' HD13 ' A' ' 47' ' ' LEU . 8.1 t0 -79.59 -34.75 40.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -57.32 -50.16 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.26 -46.88 94.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -60.14 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.764 HD11 HD11 ' A' ' 30' ' ' ILE . 9.6 mt -45.58 -57.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.3 mm -49.2 -60.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.0 mtt -46.64 -39.68 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -54.72 -44.14 73.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.7 mmt -72.04 -24.92 61.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.37 -22.69 59.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -99.57 -47.47 5.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -53.19 -42.81 66.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.54 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 87.5 m-85 -109.71 11.5 24.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.17 65.95 1.49 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 6.0 m-85 -123.75 -175.62 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 0.758 . . . . 0.0 111.024 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -144.79 82.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 84' ' ' TYR . 8.4 mt -93.19 121.91 64.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.784 1.278 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 163.96 36.43 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.67 -25.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 70' ' ' ILE . 68.4 m-20 -96.28 -31.8 12.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.68 68.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' HE2' ' A' ' 76' ' ' MET . 20.1 pt-20 -59.0 -32.16 69.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -79.37 -26.51 42.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 80' ' ' GLU . 51.5 mt -83.02 115.61 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.401 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 7.2 mmt -133.57 16.45 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -158.6 164.95 19.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 122.891 1.329 . . . . 0.0 108.214 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.663 ' HA ' HD12 ' A' ' 81' ' ' ILE . 52.6 Cg_endo -69.86 -49.6 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.623 2.216 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -51.95 -49.3 63.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.528 ' HB3' HD23 ' A' ' 75' ' ' LEU . 4.0 mt-10 -45.54 -40.06 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 78' ' ' PRO . 9.2 mt -68.1 -48.57 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 20' ' ' VAL . 98.5 t -46.58 -44.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.55 -39.8 95.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.563 ' CE1' HG12 ' A' ' 67' ' ' ILE . 9.1 t80 -65.46 -36.74 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 2.2 mm -71.75 -56.19 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.75 -51.5 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.79 -53.6 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.236 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -38.56 -30.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -75.71 -54.33 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.579 HG21 ' HB ' ' A' ' 85' ' ' ILE . 57.7 mt -46.41 -58.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.21 -61.05 1.94 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.74 -54.77 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 15' ' ' GLY . 10.2 mpt_? -51.59 -56.52 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.723 HG21 ' CG2' ' A' ' 82' ' ' VAL . 9.4 t -42.52 -40.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -79.25 -60.7 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -42.55 -45.39 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 t -65.72 -48.23 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.794 HD21 HG23 ' A' ' 55' ' ' ILE . 51.1 mt -60.72 -30.85 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HG3' HD13 ' A' ' 35' ' ' LEU . 8.0 mttt -65.66 -49.99 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.2 mt -41.6 -33.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.4 t80 -76.29 100.56 5.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.27 -36.48 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 13.9 mtpt -54.73 -36.5 64.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 1.038 HD11 HD11 ' A' ' 55' ' ' ILE . 24.1 mt -93.17 115.15 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 137.18 66.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.84 1.305 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -46.54 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -15.9 13.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -105.4 -39.72 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.793 HD11 ' CB ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -44.28 127.22 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 78' ' ' PRO . 1.0 OUTLIER -153.14 146.76 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 79' ' ' GLN . 10.5 p -56.34 -30.14 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 7.9 p-10 -112.01 44.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.2 125.06 44.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 76' ' ' MET . 24.1 t-80 -63.38 -167.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.652 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 76' ' ' MET . 22.0 m-85 -130.64 -39.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -98.0 -16.03 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -93.05 -76.2 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -78.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 mt -45.18 -53.85 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.46 43.64 5.16 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.793 HD13 ' OD2' ' A' ' 51' ' ' ASP . 4.3 mt -93.54 162.79 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.06 172.56 8.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 69.6 m -55.7 -41.91 74.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -47.08 -40.75 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.408 1.068 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.793 ' OD2' HD13 ' A' ' 47' ' ' LEU . 6.6 t70 -70.77 -32.4 69.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.3 tm0? -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.7 t -51.41 -50.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.77 -60.01 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 1.038 HD11 HD11 ' A' ' 30' ' ' ILE . 20.6 mt -48.57 -39.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.539 HG22 ' OE2' ' A' ' 60' ' ' GLU . 19.8 mm -65.9 -60.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -46.29 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.52 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.7 mmt -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' OE2' HG22 ' A' ' 56' ' ' ILE . 37.3 mt-10 -63.2 -23.16 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.54 -47.31 5.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -52.8 -40.01 62.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 85' ' ' ILE . 49.4 m-85 -103.14 -20.27 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.48 62.67 2.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CE1' ' HG3' ' A' ' 88' ' ' LYS . 13.3 m-85 -126.89 -178.93 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.754 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -131.65 81.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 71' ' ' ASP . 7.2 mt -89.05 115.86 64.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.832 1.301 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -179.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -24.31 54.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -22.11 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.572 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -98.84 -57.15 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -44.81 -42.91 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' HE2' ' A' ' 76' ' ' MET . 23.2 pt-20 -58.61 -38.57 78.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -73.83 -20.85 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 72' ' ' ALA . 42.0 mt -83.45 123.92 30.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.602 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 20.0 mmt -126.01 -39.94 2.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.515 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -110.99 168.54 7.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.813 1.292 . . . . 0.0 108.223 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.515 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 54.0 Cg_endo -69.74 -35.06 13.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.721 ' HB2' HG22 ' A' ' 37' ' ' VAL . 33.6 tp60 -64.66 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.87 -38.92 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 84' ' ' TYR . 15.1 mt -68.13 -51.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.723 ' CG2' HG21 ' A' ' 20' ' ' VAL . 91.5 t -44.47 -43.01 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -44.97 80.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.483 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.4 t80 -65.86 -34.6 78.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.579 ' HB ' HG21 ' A' ' 16' ' ' ILE . 15.0 mm -70.26 -59.2 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.78 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -40.1 -48.4 2.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -50.72 -52.38 40.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.54 -47.59 7.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.0 -40.36 88.76 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 13' ' ' LEU . 19.1 mt -59.44 -54.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 109.219 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' VAL . 8.0 tt0 -52.52 -65.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -40.59 -45.97 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.773 HG21 HG22 ' A' ' 82' ' ' VAL . 41.3 t -51.95 -37.09 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 21' ' ' LEU . 1.2 mt -81.62 -45.9 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -53.02 -51.08 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.993 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 53.4 t -63.92 -42.63 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.893 ' HB3' HD11 ' A' ' 35' ' ' LEU . 17.8 mt -63.38 -31.23 72.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HG3' HD13 ' A' ' 35' ' ' LEU . 1.9 mttp -68.85 -49.28 59.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.3 -28.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' N ' ' C ' ' A' ' 25' ' ' LYS . 1.6 t80 -81.03 100.47 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.33 -38.12 40.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -52.94 -35.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.775 HG12 HD11 ' A' ' 47' ' ' LEU . 50.3 mt -97.51 109.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.86 137.51 90.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.768 1.27 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -47.11 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.4 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -17.29 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -104.49 -35.42 7.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.893 HD11 ' HB3' ' A' ' 24' ' ' LEU . 1.1 tt -49.41 98.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -135.39 134.65 39.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.456 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.5 m -41.02 -50.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -86.08 44.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.393 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -132.63 128.75 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -78.36 165.07 24.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.697 ' HA ' HD12 ' A' ' 45' ' ' LEU . 61.0 m-85 -91.17 10.57 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtt -149.12 -51.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.06 -50.33 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 5.1 t0 -118.54 -60.66 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 41' ' ' PHE . 44.7 mt -39.63 -56.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.01 73.78 1.13 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.775 HD11 HG12 ' A' ' 30' ' ' ILE . 12.5 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 51' ' ' ASP . 9.1 m-20 -123.47 154.1 39.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -46.58 -39.04 10.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.0 -33.57 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' ASP . 39.0 m-20 -82.94 -23.41 33.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.1 tm0? -65.5 -36.83 85.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.9 t -67.72 -37.06 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -57.19 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.748 HG23 HD21 ' A' ' 24' ' ' LEU . 5.9 mt -41.8 -53.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.45 HG13 ' HB1' ' A' ' 72' ' ' ALA . 20.0 mm -55.12 -56.31 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mtm -44.91 -42.97 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.993 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -53.04 -44.81 67.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG3' HG21 ' A' ' 81' ' ' ILE . 15.9 mmt -73.76 -19.31 60.81 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -80.31 -22.72 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -97.77 -48.67 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.569 ' HG2' HG21 ' A' ' 23' ' ' VAL . 5.3 tp10 -52.08 -42.9 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CZ ' HG23 ' A' ' 16' ' ' ILE . 62.9 m-85 -110.51 15.42 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 69.36 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.8 m-85 -127.62 179.48 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 5.6 pt-20 -136.5 92.62 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 12.3 mt -102.94 119.38 55.69 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 122.867 1.318 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.75 33.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -24.42 67.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.03 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' HG23 ' A' ' 67' ' ' ILE . 42.8 m-20 -97.06 -28.08 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -75.29 -37.51 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' ' HE2' ' A' ' 76' ' ' MET . 16.6 pt-20 -61.37 -32.72 72.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -24.02 51.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 80' ' ' GLU . 29.0 mt -87.55 114.35 24.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.429 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 3.5 mmt -130.64 14.34 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.6 163.16 24.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 122.801 1.286 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.456 ' HG2' ' HA ' ' A' ' 37' ' ' VAL . 53.6 Cg_endo -69.78 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -55.6 -40.85 72.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.541 ' HB3' HD23 ' A' ' 75' ' ' LEU . 5.0 mt-10 -50.72 -39.81 52.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' A' ' 59' ' ' MET . 25.5 mt -68.41 -50.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.773 HG22 HG21 ' A' ' 20' ' ' VAL . 96.7 t -44.12 -45.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -56.02 -43.13 77.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.218 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 20.7 t80 -64.85 -31.67 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.468 ' HB ' HG21 ' A' ' 16' ' ' ILE . 4.7 mm -79.42 -63.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.442 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -39.85 -42.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.67 -47.65 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.45 -37.5 57.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.3 -36.35 27.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.672 HG21 ' HB ' ' A' ' 85' ' ' ILE . 39.6 mt -62.89 -50.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.02 -64.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.36 -43.75 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 109.185 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -64.44 -48.83 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.715 HG21 ' CG2' ' A' ' 82' ' ' VAL . 27.1 t -47.08 -36.48 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.49 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.9 mt -85.28 -48.28 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -46.06 -51.65 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.825 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 97.5 t -62.9 -44.55 99.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 20' ' ' VAL . 49.8 mt -61.31 -30.56 70.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mttt -73.51 -35.14 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.8 mt -57.76 -30.28 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.2 t80 -81.06 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.0 -40.83 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.98 -37.17 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.578 HD11 HD11 ' A' ' 55' ' ' ILE . 52.8 mt -89.31 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.43 136.16 20.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.806 1.288 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -47.57 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -30.69 70.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -88.4 -35.28 17.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.7 tp -58.58 145.14 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -169.88 156.21 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 79' ' ' GLN . 5.7 p -49.18 -23.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -126.58 59.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 p -124.18 93.53 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 42' ' ' MET . 5.5 t-80 -55.67 119.0 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 2.4 m-85 -70.57 -11.55 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.578 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 22.4 tpp -101.62 -32.96 10.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -100.79 -82.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -38.74 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 16.8 mt -62.26 -57.41 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.99 14.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' PHE . 5.5 mt -76.06 174.08 10.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.87 156.43 18.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m -48.31 -41.58 28.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mt -51.39 -30.82 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 55' ' ' ILE . 90.7 m-20 -88.96 -25.27 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 3.1 tm0? -66.92 -44.92 79.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.28 -40.9 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -58.28 8.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.641 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 5.0 mt -43.04 -51.38 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.7 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.6 mm -55.45 -55.73 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mmt -52.89 -25.56 12.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.825 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -67.25 -39.39 86.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.2 mmt -77.4 -27.05 52.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.7 ' OE2' HG22 ' A' ' 56' ' ' ILE . 33.6 mt-10 -71.73 -28.62 63.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.01 -43.51 13.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.366 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 40.3 m-85 -104.91 0.73 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 52.83 45.83 60.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 63' ' ' PHE . 12.1 m-30 -102.93 -177.67 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.94 84.31 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.23 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.43 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 48.0 mt -99.49 105.09 31.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.747 1.26 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.4 Cg_endo -69.76 156.11 64.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.652 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 1.6 m-20 -52.31 -33.3 41.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.35 -37.66 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.99 -12.66 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 69' ' ' ASP . . . -85.61 -51.03 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' A' ' 76' ' ' MET . 19.5 pt-20 -52.27 -26.6 12.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -78.54 -25.9 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 27.7 mt -85.58 112.9 21.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 7.0 mmt -115.62 -23.53 8.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.85 163.31 33.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.707 1.241 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.73 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.4 Cg_endo -69.8 -46.69 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.552 ' HB2' HG22 ' A' ' 37' ' ' VAL . 4.3 tm0? -49.49 -42.67 44.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -53.07 -36.65 60.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 78' ' ' PRO . 17.7 mt -69.12 -46.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.715 ' CG2' HG21 ' A' ' 20' ' ' VAL . 97.4 t -53.31 -40.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 5.3 t80 -60.2 -63.51 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.672 ' HB ' HG21 ' A' ' 16' ' ' ILE . 21.6 mm -40.11 -59.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.11 -62.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -45.95 -31.87 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.588 ' HG2' ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.557 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.64 71.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.8 -32.22 30.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.708 HG21 ' HB ' ' A' ' 85' ' ' ILE . 86.6 mt -63.94 -52.68 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' VAL . 4.1 tt0 -54.97 -65.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -40.34 -46.71 2.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -60.38 -48.12 83.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.667 HG12 HD23 ' A' ' 21' ' ' LEU . 4.6 t -52.24 -52.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.667 HD23 HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -65.78 -44.54 85.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 26' ' ' LEU . 32.6 t80 -54.1 -58.91 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.593 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 54.3 t -51.92 -36.59 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' HB3' HG21 ' A' ' 30' ' ' ILE . 40.1 mt -69.69 -45.57 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -63.43 -31.52 72.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.381 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 22' ' ' TYR . 52.7 mt -65.99 -15.57 63.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' LYS . 27.2 t80 -73.61 -12.36 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 66.62 -68.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -46.1 -31.77 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 55' ' ' ILE . 84.8 mt -84.68 102.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.3 135.48 88.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.8 1.286 . . . . 0.0 109.232 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.734 2.289 . . . . 0.0 112.275 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -37.51 73.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -81.1 -40.91 23.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.77 HD12 ' H ' ' A' ' 36' ' ' SER . 1.4 tp -54.02 153.63 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.77 ' H ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -179.13 142.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -39.92 -55.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -86.84 45.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' SER . 15.9 p -118.86 133.23 55.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -85.54 156.91 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.729 ' HA ' HD12 ' A' ' 45' ' ' LEU . 64.7 m-85 -90.45 11.91 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.3 mtt -150.95 -46.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -49.45 -52.34 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -111.2 -64.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 41' ' ' PHE . 94.0 mt -39.56 -68.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.26 63.41 1.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.508 HD11 HG12 ' A' ' 30' ' ' ILE . 4.8 mt -117.99 157.58 26.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.48 163.08 15.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -53.65 -48.29 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.968 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.51 -22.2 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.5 -29.1 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.199 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 5.6 tm0? -75.75 -37.95 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 54' ' ' GLU . 6.7 p -64.88 -50.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -60.6 -39.3 87.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 110.211 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 30' ' ' ILE . 25.8 mt -57.43 -63.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.774 HG22 ' OE2' ' A' ' 60' ' ' GLU . 39.2 mm -40.81 -50.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.37 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.593 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -48.09 -40.43 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.444 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 20.3 mmt -75.04 -35.04 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.903 ' HG3' HD12 ' A' ' 67' ' ' ILE . 26.4 mt-10 -64.3 -25.21 67.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -92.5 -50.22 5.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 2.2 tp10 -57.05 -26.54 60.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.639 ' CD2' HD12 ' A' ' 85' ' ' ILE . 27.1 m-85 -112.06 -20.88 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 71.2 69.27 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE1' ' HE3' ' A' ' 88' ' ' LYS . 15.1 m-85 -138.16 176.01 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -124.48 86.72 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 60' ' ' GLU . 16.3 mt -93.58 112.92 58.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 122.766 1.269 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.81 159.8 52.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -26.34 62.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.4 -25.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 70' ' ' ILE . 19.1 m-20 -100.81 -50.83 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.636 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -49.19 -31.17 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' O ' ' HE2' ' A' ' 76' ' ' MET . 25.1 pt-20 -73.79 -37.98 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -16.09 63.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.45 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 32.3 mt -91.83 110.17 21.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.447 ' HE1' ' NE2' ' A' ' 52' ' ' GLN . 4.0 mmt -129.12 19.99 5.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.31 160.54 26.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.729 1.252 . . . . 0.0 108.332 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HG2' ' HA ' ' A' ' 37' ' ' VAL . 53.2 Cg_endo -69.85 -48.87 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -54.66 -43.88 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.04 -41.96 60.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' TYR . 19.9 mt -66.32 -51.52 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.582 HG22 HG21 ' A' ' 20' ' ' VAL . 91.4 t -42.91 -44.87 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.15 -43.53 82.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 28.5 t80 -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.708 ' HB ' HG21 ' A' ' 16' ' ' ILE . 5.9 mm -83.74 -62.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.557 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -40.12 -42.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.99 -50.37 68.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 65' ' ' PHE . 5.6 mmtt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 4.6 tt0 -38.9 -58.23 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.77 -46.32 92.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.738 HG21 ' HB ' ' A' ' 85' ' ' ILE . 46.5 mt -51.48 -55.35 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' VAL . 10.1 tt0 -51.62 -68.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . 20.7 t0 -39.06 -45.58 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -62.6 -48.0 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG21 ' CG2' ' A' ' 82' ' ' VAL . 19.3 t -49.74 -30.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.569 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.4 mt -91.51 -40.78 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -54.25 -47.84 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 74.3 t -67.43 -44.4 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD21 HG23 ' A' ' 55' ' ' ILE . 61.7 mt -63.5 -26.01 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 35' ' ' LEU . 15.2 mttt -78.68 -45.89 20.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.4 mt -49.78 -26.22 3.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -82.43 103.36 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -52.35 -36.4 53.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -33.85 60.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.84 HG12 HD11 ' A' ' 47' ' ' LEU . 66.0 mt -99.45 135.38 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 141.12 22.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.792 1.282 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -46.24 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -44.67 79.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.2 tp -53.4 140.11 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.96 146.5 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.633 HG12 ' HB2' ' A' ' 79' ' ' GLN . 7.1 t -48.36 -41.08 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -108.11 53.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.4 p -115.46 162.48 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 15.0 t-80 -110.58 147.24 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.741 ' HA ' HD12 ' A' ' 45' ' ' LEU . 60.1 m-85 -86.75 8.64 21.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.54 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 30.3 mtt -140.65 -68.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 2.7 mmtt -40.25 -69.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.83 -76.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' A' ' 41' ' ' PHE . 88.1 mt -40.01 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.71 50.36 1.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 HG12 ' A' ' 30' ' ' ILE . 15.5 mt -97.32 -172.95 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -122.48 158.36 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.9 p -52.5 -43.44 65.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.14 -30.55 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.49 -26.92 25.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.7 tm0? -62.39 -38.39 89.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.54 -32.13 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.2 -53.67 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.742 HD11 HD11 ' A' ' 30' ' ' ILE . 7.9 mt -47.77 -60.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' A' ' 75' ' ' LEU . 16.2 mm -47.17 -63.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -37.52 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -54.84 -43.52 73.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.439 ' HG3' HG21 ' A' ' 81' ' ' ILE . 21.2 mmt -69.82 -47.89 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.556 ' OE2' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -53.65 -25.68 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -31.0 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.523 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 53.1 m-85 -111.66 -28.74 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 56.09 2.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 27.5 m-85 -128.03 -171.7 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -140.5 91.59 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.556 HD12 ' OE2' ' A' ' 60' ' ' GLU . 62.3 mt -92.06 120.28 67.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.817 1.294 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 173.0 11.6 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.389 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -24.53 60.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -24.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.82 -46.19 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -52.99 -29.14 27.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' HE2' ' A' ' 76' ' ' MET . 16.0 pt-20 -76.4 -35.45 58.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -12.53 60.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 28.4 mt -94.36 109.81 21.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.41 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 10.5 mmt -130.04 14.03 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.9 158.6 31.75 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 122.763 1.268 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.629 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.2 Cg_endo -69.8 -38.24 7.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.633 ' HB2' HG12 ' A' ' 37' ' ' VAL . 12.8 tp60 -63.96 -33.77 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.418 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.0 mt-10 -63.22 -27.57 69.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 78' ' ' PRO . 15.4 mt -80.81 -49.5 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.589 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.2 t -44.93 -40.8 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.01 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.511 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.1 t80 -64.32 -36.57 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.738 ' HB ' HG21 ' A' ' 16' ' ' ILE . 19.5 mm -74.13 -55.18 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.455 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -49.91 -33.93 18.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.49 -38.58 91.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.285 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.537 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.41 -42.26 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.74 -44.36 32.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.66 HG21 ' HB ' ' A' ' 85' ' ' ILE . 19.8 mt -57.68 -53.67 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -51.64 -65.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -43.67 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.431 ' NH1' ' OE2' ' A' ' 62' ' ' GLU . 23.6 mmt85 -66.33 -47.3 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.735 HG21 ' CG2' ' A' ' 82' ' ' VAL . 20.7 t -48.08 -38.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -78.95 -46.95 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -51.08 -55.71 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.669 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 45.1 t -58.06 -49.44 81.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.833 ' CB ' HD11 ' A' ' 35' ' ' LEU . 49.5 mt -57.05 -40.61 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG3' HD13 ' A' ' 35' ' ' LEU . 9.8 mttt -62.05 -51.38 68.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.1 mt -42.59 -37.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.536 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 4.5 t80 -73.76 99.21 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.94 -40.5 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.23 -37.73 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 55' ' ' ILE . 43.8 mt -94.79 107.54 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.43 140.23 78.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.829 1.3 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.89 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -28.66 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -96.82 -44.11 7.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -40.72 117.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.423 1.077 . . . . 0.0 109.384 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.95 148.12 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.644 HG12 ' HB2' ' A' ' 79' ' ' GLN . 10.5 t -42.98 -42.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -108.34 48.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.577 ' HB2' HD11 ' A' ' 45' ' ' LEU . 98.7 p -108.5 114.78 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 18.3 t-80 -73.2 137.58 45.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.406 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 21.4 m-85 -87.23 15.62 6.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.473 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -138.72 -45.79 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -75.65 -70.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 3.8 t0 -66.95 -89.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 39' ' ' SER . 4.4 mp -38.83 -65.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.98 64.04 1.19 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.765 HD11 HG12 ' A' ' 30' ' ' ILE . 16.1 mt -105.81 179.0 4.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.04 176.67 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -66.7 -45.54 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.635 ' O ' HG12 ' A' ' 53' ' ' VAL . 1.8 mt -52.93 -26.11 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.423 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -83.2 -24.49 32.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.391 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 35.3 tp60 -74.78 -38.12 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 50' ' ' LEU . 7.6 p -65.15 -30.06 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -55.84 4.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 30' ' ' ILE . 7.2 mt -43.08 -50.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.539 HG13 ' HB1' ' A' ' 72' ' ' ALA . 24.5 mm -55.56 -56.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 mmt -46.17 -37.79 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.669 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -61.2 -42.47 98.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.6 mmt -76.44 -23.45 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -74.62 -21.05 59.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -94.6 -50.87 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -56.91 -34.69 68.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.561 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 19.7 m-85 -106.06 -5.54 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.57 50.48 48.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 63' ' ' PHE . 9.5 m-85 -113.59 -177.84 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -134.09 83.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 84' ' ' TYR . 10.5 mt -88.67 121.55 69.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 122.818 1.294 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.92 10.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.38 58.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.14 -25.72 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' A' ' 67' ' ' ILE . 1.7 t70 -97.43 -50.14 4.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -49.45 -34.44 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.65 -29.37 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -81.76 -17.48 47.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.461 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.8 mt -89.53 116.86 28.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 10.1 mmt -134.62 15.41 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.22 158.97 31.76 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.809 1.29 . . . . 0.0 108.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.9 Cg_endo -69.66 -41.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.415 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.644 ' HB2' HG12 ' A' ' 37' ' ' VAL . 33.8 tp60 -59.89 -36.96 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.452 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -59.7 -43.21 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 78' ' ' PRO . 7.1 mt -63.15 -54.33 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.735 ' CG2' HG21 ' A' ' 20' ' ' VAL . 86.4 t -42.98 -44.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -55.57 -44.33 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 67' ' ' ILE . 34.4 t80 -65.49 -34.64 78.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.66 ' HB ' HG21 ' A' ' 16' ' ' ILE . 17.0 mm -74.56 -63.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -41.73 -47.62 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -44.52 -51.15 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -41.87 7.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.35 -40.16 34.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.1 mt -56.1 -55.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.736 . . . . 0.0 109.247 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.03 -64.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -41.92 -41.59 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.6 -49.13 64.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.725 HG21 ' CG2' ' A' ' 82' ' ' VAL . 3.7 t -47.21 -45.75 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.66 HD23 HG12 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -72.08 -55.49 7.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -42.06 -55.55 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.67 ' HA ' HD12 ' A' ' 26' ' ' LEU . 15.6 t -55.68 -45.31 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 55' ' ' ILE . 77.6 mt -62.49 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HG3' HD13 ' A' ' 35' ' ' LEU . 15.8 mttt -55.55 -45.87 77.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 23' ' ' VAL . 30.8 mt -46.97 -29.72 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.32 100.53 8.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -47.12 -39.13 12.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -52.22 -36.87 53.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 24' ' ' LEU . 71.6 mt -94.91 113.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.74 139.21 58.09 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 122.76 1.267 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.55 2.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -16.61 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -107.24 -41.58 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.4 tt -40.28 141.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.621 ' H ' HD23 ' A' ' 35' ' ' LEU . 1.4 p -169.2 141.94 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.648 HG22 ' HB2' ' A' ' 79' ' ' GLN . 3.7 p -51.16 -20.28 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 39' ' ' SER . 56.6 m-20 -95.9 -44.05 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -33.19 147.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 0.9 OUTLIER -112.24 137.7 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.775 ' HA ' HD12 ' A' ' 45' ' ' LEU . 6.2 m-30 -61.04 -12.99 13.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 2.0 mtt -126.49 -62.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 4.4 tttt -36.07 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.23 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -77.21 -75.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 41' ' ' PHE . 84.7 mt -38.52 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.44 57.46 1.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.542 HD13 HD11 ' A' ' 55' ' ' ILE . 6.8 mt -101.51 163.97 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -89.11 148.8 23.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -45.88 -44.63 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.68 -37.96 19.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.1 -25.82 31.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.6 tm0? -63.77 -41.23 98.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.55 -41.1 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -51.99 65.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.735 HG23 HD21 ' A' ' 24' ' ' LEU . 8.9 mt -45.7 -53.19 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.706 HG21 ' CB ' ' A' ' 72' ' ' ALA . 42.2 mm -57.57 -55.94 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mtt -41.62 -43.54 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -55.55 -49.42 72.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.36 -36.17 83.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.626 ' HG2' HD12 ' A' ' 67' ' ' ILE . 52.0 mt-10 -60.32 -34.7 74.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 110.339 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.68 -35.99 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.57 ' HG3' HG21 ' A' ' 23' ' ' VAL . 1.3 tm-20 -53.55 -34.24 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.755 ' CD2' HD12 ' A' ' 85' ' ' ILE . 91.5 m-85 -115.94 -29.2 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 84.77 56.2 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 63' ' ' PHE . 18.0 m-30 -114.38 -5.21 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.6 mt-10 37.56 36.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.626 HD12 ' HG2' ' A' ' 60' ' ' GLU . 4.6 mt -39.63 136.0 1.19 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.739 1.257 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.7 -179.07 2.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.38 -24.71 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -64.22 -25.37 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' LYS . 3.0 m-20 -99.97 -52.65 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.706 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -47.61 -29.09 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -35.23 44.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -70.08 -15.87 63.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.55 HD13 HG12 ' A' ' 81' ' ' ILE . 25.8 mt -90.2 134.91 33.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 15.7 mmt -129.64 -41.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.507 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -108.04 168.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.845 1.307 . . . . 0.0 108.321 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.8 Cg_endo -69.68 -30.62 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.648 ' HB2' HG22 ' A' ' 37' ' ' VAL . 61.6 tp60 -71.42 -33.28 69.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.216 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.494 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -56.02 -43.16 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.55 HG12 HD13 ' A' ' 75' ' ' LEU . 4.6 mt -64.17 -52.82 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.382 1.051 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.725 ' CG2' HG21 ' A' ' 20' ' ' VAL . 97.5 t -42.6 -46.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.97 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE1' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -68.39 -34.54 76.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.755 HD12 ' CD2' ' A' ' 63' ' ' PHE . 11.5 mm -68.02 -63.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -42.76 -34.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.12 -48.9 79.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' ILE . 15.5 mmtt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -43.36 -29.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.32 -42.88 17.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 HD22 ' A' ' 13' ' ' LEU . 44.1 mt -57.51 -56.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -52.9 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -47.37 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.1 mmt-85 -60.22 -52.43 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.618 HG12 HD23 ' A' ' 21' ' ' LEU . 15.5 t -47.48 -57.05 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.966 ' HB3' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -62.47 -51.6 66.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.612 1.195 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -48.15 -48.7 34.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 40.6 t -64.53 -41.48 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.614 HD22 HD13 ' A' ' 30' ' ' ILE . 39.3 mt -64.17 -34.31 77.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HE3' HD23 ' A' ' 35' ' ' LEU . 4.2 mttp -64.42 -47.99 77.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.1 mt -47.51 -28.22 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 3.0 t80 -83.29 101.42 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.18 -38.66 12.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 55' ' ' ILE . 38.3 mt -97.66 133.35 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -98.14 142.01 23.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.737 1.256 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -46.0 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.389 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -42.0 99.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -77.21 -31.4 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.966 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.2 tp -55.09 137.64 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.96 135.9 11.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.2 p -47.45 -26.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -122.85 53.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.99 132.43 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 43.7 t-80 -76.36 151.3 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.877 ' HA ' HD12 ' A' ' 45' ' ' LEU . 34.3 m-85 -87.66 2.24 51.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.438 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 54.8 mtt -139.67 -51.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.39 -59.68 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.9 -66.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 41' ' ' PHE . 90.9 mt -41.35 -83.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.42 54.58 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.417 1.073 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -102.82 171.39 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.598 0.822 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' OD2' ' A' ' 51' ' ' ASP . 15.3 t70 -102.86 166.63 10.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 p -48.34 -38.49 19.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' HA ' HG12 ' A' ' 53' ' ' VAL . 7.1 mt -54.66 -18.67 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.921 ' OD1' HD12 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -78.23 -36.46 47.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' CG1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.87 -47.49 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 57' ' ' MET . 7.9 p -60.2 -35.24 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.83 -51.26 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.921 HD12 ' OD1' ' A' ' 51' ' ' ASP . 24.7 mt -48.75 -52.95 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' OE1' ' A' ' 52' ' ' GLN . 25.1 mm -63.66 -51.8 65.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 2.8 mmt -50.75 -22.81 2.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.645 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -76.23 -44.81 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.578 ' HG3' HG21 ' A' ' 81' ' ' ILE . 16.4 mmt -69.09 -24.38 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.48 -20.53 60.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.87 -45.52 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -43.17 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.447 ' CD2' HD12 ' A' ' 85' ' ' ILE . 75.1 m-85 -112.55 15.56 20.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 59.98 1.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -110.98 -176.93 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.01 77.62 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.561 HG12 ' CE1' ' A' ' 84' ' ' TYR . 4.9 mt -93.06 125.71 53.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.821 1.296 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 166.78 26.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.28 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -66.17 -24.35 66.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.63 -26.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 70' ' ' ILE . 89.1 m-20 -99.99 -18.75 16.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -86.6 -50.6 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' CE ' ' A' ' 76' ' ' MET . 7.2 pt-20 -57.95 -19.25 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.56 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.725 HD23 ' HB3' ' A' ' 80' ' ' GLU . 35.2 mt -82.42 122.7 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 15.5 mmt -134.9 8.28 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -150.0 164.36 21.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.752 1.263 . . . . 0.0 108.357 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.646 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.7 Cg_endo -69.78 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.476 ' HB2' HG22 ' A' ' 37' ' ' VAL . 1.7 tp60 -58.79 -37.97 77.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.725 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -55.03 -24.0 22.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 78' ' ' PRO . 9.7 mt -85.43 -47.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 16' ' ' ILE . 83.1 t -46.83 -48.71 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.62 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.561 ' CE1' HG12 ' A' ' 67' ' ' ILE . 6.2 t80 -67.74 -36.48 80.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.447 HD12 ' CD2' ' A' ' 63' ' ' PHE . 2.8 mm -73.89 -58.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -39.6 -53.01 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -57.54 -54.11 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.526 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.52 -46.53 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.86 -38.68 48.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.678 HG21 ' HB ' ' A' ' 85' ' ' ILE . 72.0 mt -58.21 -54.17 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -54.22 -65.48 0.56 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -41.16 -45.5 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.65 -47.33 85.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.715 HG21 HG22 ' A' ' 82' ' ' VAL . 23.6 t -52.15 -39.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -78.49 -41.58 32.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -58.7 -51.34 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.756 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 46.3 t -62.97 -44.27 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.776 ' CB ' HD11 ' A' ' 35' ' ' LEU . 63.0 mt -62.97 -29.2 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.223 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -43.57 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.6 mt -45.56 -36.37 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.519 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.1 t80 -73.9 99.5 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -47.38 -38.32 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 6.5 mttt -53.29 -37.02 61.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.676 HD11 HD11 ' A' ' 55' ' ' ILE . 11.6 mt -91.58 106.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.85 136.21 92.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.827 1.299 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.288 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -18.57 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.236 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -101.71 -40.47 6.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.776 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -43.8 117.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -155.39 135.8 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.458 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.6 m -40.93 -40.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -95.62 49.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 59.7 m -136.9 124.38 22.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.435 ' CG ' ' H ' ' A' ' 41' ' ' PHE . 16.8 t-80 -67.72 -170.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' HA ' HD12 ' A' ' 45' ' ' LEU . 22.9 m-85 -124.62 -34.52 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.38 -25.63 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.81 -78.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.21 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.53 -78.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 41' ' ' PHE . 38.8 mt -41.46 -67.59 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.54 43.25 2.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD11 ' CG1' ' A' ' 30' ' ' ILE . 8.3 mt -86.97 168.37 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.96 171.5 9.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 m -67.4 -46.37 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.86 ' O ' HG12 ' A' ' 53' ' ' VAL . 3.0 mt -52.42 -27.72 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -81.41 -25.07 36.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 7.5 tm0? -73.18 -27.31 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 50' ' ' LEU . 9.3 p -77.4 -27.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -49.26 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.676 HD11 HD11 ' A' ' 30' ' ' ILE . 12.8 mt -47.59 -53.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.0 mm -49.98 -61.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mmt -44.2 -45.89 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.756 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -46.45 -41.66 14.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.1 mmt -70.92 -49.76 42.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.486 ' CD ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -56.24 -24.42 42.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -89.51 -39.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 8.5 tm-20 -70.75 -24.59 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.187 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.559 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 57.2 m-85 -111.57 -30.01 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 87.29 32.08 14.93 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.632 ' HE2' HG23 ' A' ' 85' ' ' ILE . 19.1 m-85 -100.17 -173.53 2.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -142.3 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 84' ' ' TYR . 47.3 mt -93.85 116.7 66.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.859 1.314 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.75 159.53 53.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.35 -24.61 56.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.062 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.14 -25.29 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.387 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 70' ' ' ILE . 80.9 m-20 -101.15 -31.83 10.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -67.93 -31.06 70.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -72.39 -33.27 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -11.53 60.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 72' ' ' ALA . 16.5 mt -98.51 119.26 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.8 mmt -130.6 4.84 4.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -149.16 164.75 19.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 122.82 1.295 . . . . 0.0 108.265 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.556 ' HD3' ' CZ ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.85 -50.18 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -56.61 -43.62 80.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -31.29 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' TYR . 21.9 mt -77.96 -49.59 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.715 HG22 HG21 ' A' ' 20' ' ' VAL . 85.8 t -44.82 -40.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -43.27 94.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' HG12 ' A' ' 67' ' ' ILE . 28.3 t80 -63.83 -29.07 70.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.678 ' HB ' HG21 ' A' ' 16' ' ' ILE . 9.6 mm -80.62 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.526 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.13 -47.36 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -57.45 -50.21 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t 51.93 85.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 0.793 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 t -90.77 160.19 15.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.02 -94.38 0.17 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -163.92 145.8 9.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -165.36 102.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.05 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.85 172.9 32.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.11 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttm -126.0 88.42 54.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 122.822 1.296 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -47.95 168.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' C ' HD23 ' A' ' 11' ' ' LEU . 64.2 Cg_exo -47.95 175.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 HD23 ' C ' ' A' ' 10' ' ' PRO . 5.7 mt -102.67 112.85 25.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.9 p -139.82 165.26 27.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 110.373 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.79 HD22 HD12 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -48.37 -41.21 28.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.85 -22.75 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.34 -36.87 8.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.79 HD12 HD22 ' A' ' 13' ' ' LEU . 88.9 mt -59.84 -59.04 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.725 . . . . 0.0 109.37 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' VAL . 9.8 tt0 -52.87 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -40.41 -45.6 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -63.51 -44.87 93.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CG2' ' A' ' 82' ' ' VAL . 20.7 t -54.32 -41.13 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -78.76 -50.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -48.31 -49.61 33.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.585 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 25.4 t -61.78 -44.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.603 HD21 HG23 ' A' ' 55' ' ' ILE . 58.0 mt -64.62 -31.5 72.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' LEU . 16.1 mttt -69.14 -47.65 64.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.2 mt -45.18 -26.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -84.11 98.94 10.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -49.43 -39.48 33.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.56 -36.12 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.857 HD11 HD11 ' A' ' 55' ' ' ILE . 49.9 mt -97.08 119.27 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.99 140.5 50.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.739 1.256 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 35' ' ' LEU . 53.2 Cg_endo -69.83 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.58 2.187 . . . . 0.0 112.357 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -51.78 55.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.285 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -68.25 -44.35 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.76 141.93 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.375 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.7 m -165.05 143.17 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.694 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.1 p -45.85 -28.77 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.95 55.88 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.71 118.44 21.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 27.6 t-80 -59.96 175.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.542 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' HA ' HD12 ' A' ' 45' ' ' LEU . 16.8 m-85 -116.13 -25.4 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.8 mtt -114.81 -24.59 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 2.7 mtpt -87.87 -29.46 20.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.175 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.68 -72.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 41' ' ' PHE . 41.0 mt -55.38 -53.05 61.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 86.19 42.32 6.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 30' ' ' ILE . 13.4 mt -85.07 -177.53 6.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -114.86 161.09 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -50.66 -42.13 56.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.82 -26.12 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -89.08 -28.16 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 34.6 tp60 -66.41 -43.3 86.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.0 -37.42 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.857 HD11 HD11 ' A' ' 30' ' ' ILE . 6.2 mt -42.01 -51.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.785 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.1 mm -57.77 -60.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -29.83 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -63.84 -42.83 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.1 mmt -73.18 -34.06 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.785 ' OE2' HG22 ' A' ' 56' ' ' ILE . 37.0 mt-10 -64.09 -25.56 68.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -94.31 -51.48 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 3.1 tp10 -52.09 -27.35 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 85' ' ' ILE . 36.8 m-85 -112.93 -27.12 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 79.07 69.67 1.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 18.8 m-85 -138.06 -175.23 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 0.726 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 2.5 pt-20 -133.41 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.639 HD12 ' HG3' ' A' ' 60' ' ' GLU . 10.7 mt -92.48 116.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.863 1.316 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.82 159.19 54.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -24.82 63.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.4 -25.63 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.455 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -96.85 -52.45 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.519 ' HB2' HG21 ' A' ' 56' ' ' ILE . . . -48.91 -31.33 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.237 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' HE2' ' A' ' 76' ' ' MET . 11.6 pt-20 -75.33 -31.87 60.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.5 -14.19 59.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 22.7 mt -94.53 115.14 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.459 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 10.5 mmt -128.6 14.46 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -155.57 159.25 31.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.825 1.298 . . . . 0.0 108.27 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.518 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.6 Cg_endo -69.77 -36.21 11.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.694 ' HB2' HG22 ' A' ' 37' ' ' VAL . 61.1 tp60 -66.83 -32.43 73.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.03 -29.83 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 78' ' ' PRO . 10.8 mt -78.65 -49.96 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.553 ' CG2' HG21 ' A' ' 20' ' ' VAL . 98.1 t -43.51 -43.89 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.74 93.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.525 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.3 t80 -64.59 -32.43 74.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.691 HD12 ' CD2' ' A' ' 63' ' ' PHE . 7.7 mm -78.27 -58.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.53 -53.24 48.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 7.7 mmtt -51.48 -37.35 48.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.24 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.7 148.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -113.17 33.32 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -88.89 37.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -103.88 150.72 23.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 m -52.63 170.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.055 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 140.14 154.54 6.31 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 122.771 1.206 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.15 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.597 2.198 . . . . 0.0 112.369 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.58 111.63 24.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.49 158.08 18.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 O-C-N 124.55 1.157 . . . . 0.0 110.959 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -171.68 125.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 109.953 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.77 167.22 27.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.41 130.87 29.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.117 . . . . 0.0 111.073 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -165.07 105.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.055 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -126.19 130.15 50.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.93 -155.98 20.86 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 mtp -131.09 78.17 73.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.81 1.291 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.0 162.38 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -47.95 173.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.506 HD12 ' CB ' ' A' ' 90' ' ' ASP . 3.7 mt -101.28 97.59 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' LEU . 57.1 p -136.17 168.5 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -40.48 -55.34 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.03 -44.87 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.56 35.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.664 HG21 ' HB ' ' A' ' 85' ' ' ILE . 77.5 mt -57.57 -53.81 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -53.79 -65.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.35 -41.81 4.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.669 HG21 ' CG2' ' A' ' 82' ' ' VAL . 11.1 t -51.65 -49.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -57.26 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -42.92 -46.12 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.626 HG21 ' HG2' ' A' ' 62' ' ' GLU . 6.1 t -66.17 -48.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.722 HD21 HG23 ' A' ' 55' ' ' ILE . 35.7 mt -57.97 -43.18 86.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' ' 27' ' ' TYR . 11.6 mttt -50.57 -47.46 57.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 23' ' ' VAL . 41.5 mt -40.18 -29.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 1.8 t80 -81.72 100.04 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.48 -38.41 43.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -52.27 -33.76 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.009 HD11 HD11 ' A' ' 55' ' ' ILE . 43.8 mt -97.5 131.26 44.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.05 139.11 21.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.837 1.304 . . . . 0.0 109.267 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -45.75 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -23.13 62.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 12.4 mtpp -93.8 -51.13 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 36' ' ' SER . 4.3 tt -39.42 149.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.704 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -158.78 129.46 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.054 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 79' ' ' GLN . 8.3 p -39.7 -30.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 36' ' ' SER . 8.4 t-20 -121.64 61.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.36 134.03 45.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 76' ' ' MET . 28.8 t-80 -80.0 141.6 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.546 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.732 ' HA ' HD12 ' A' ' 45' ' ' LEU . 72.0 m-85 -80.51 -10.65 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.2 mtt -127.08 -40.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -91.78 23.93 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -156.81 -68.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 41' ' ' PHE . 32.4 mt -65.83 -67.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.01 32.85 1.46 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.181 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.66 HD13 ' OD2' ' A' ' 51' ' ' ASP . 5.2 mt -88.66 165.59 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -97.14 176.91 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.8 m -59.74 -42.36 93.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -47.38 -37.46 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.66 ' OD2' HD13 ' A' ' 47' ' ' LEU . 7.5 t70 -73.15 -33.86 65.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.0 tm0? -61.03 -43.12 99.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.41 -47.96 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.32 -54.59 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 1.009 HD11 HD11 ' A' ' 30' ' ' ILE . 15.4 mt -51.03 -51.54 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.35 -63.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' GLU . 9.8 mtt -40.89 -50.53 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.82 -47.59 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.6 mmt -68.35 -33.78 74.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' MET . 39.3 mt-10 -65.83 -21.0 66.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -100.98 -50.38 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.626 ' HG2' HG21 ' A' ' 23' ' ' VAL . 15.2 tp10 -51.91 -35.68 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CD2' HD12 ' A' ' 85' ' ' ILE . 32.5 m-85 -107.67 -20.5 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.59 59.35 3.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 22.4 m-85 -128.38 167.11 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.68 85.11 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.524 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 22.0 mt -88.79 126.35 59.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.75 1.262 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -179.54 2.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -24.69 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -66.12 -24.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -97.84 -52.23 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -49.53 -27.14 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -80.13 -32.23 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -80.83 -18.27 47.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 32.6 mt -88.15 116.11 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.559 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 10.3 mmt -134.42 14.89 3.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.26 158.23 31.45 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.771 1.272 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.556 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.0 Cg_endo -69.8 -38.46 7.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.607 2.205 . . . . 0.0 112.378 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.749 ' HB2' HG22 ' A' ' 37' ' ' VAL . 33.2 tp60 -62.62 -33.36 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.82 89.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.334 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 78' ' ' PRO . 8.8 mt -68.32 -52.21 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.669 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.0 t -42.63 -47.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -43.52 76.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 8.9 t80 -66.75 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.693 HD12 ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.36 -57.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -39.87 -46.62 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.06 -51.25 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 85' ' ' ILE . 10.8 mmtt -57.29 -36.99 71.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? 41.1 81.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.506 ' CB ' HD12 ' A' ' 11' ' ' LEU . 6.5 m-20 -41.79 115.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.7 p -126.8 37.1 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.74 35.32 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -100.81 -53.53 3.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -143.41 121.02 11.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.42 -164.33 36.64 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 122.81 1.228 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 133.46 25.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 m -88.42 169.98 11.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.92 168.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.057 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 111.048 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.14 168.99 11.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 0.788 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -166.73 139.87 3.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.4 136.55 3.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p 176.82 166.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.064 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.42 125.43 17.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.8 157.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.68 140.93 5.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.713 1.244 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.86 169.93 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -48.02 179.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD12 HG21 ' A' ' 91' ' ' VAL . 4.1 mt -97.19 108.75 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 15' ' ' GLY . 77.0 p -116.17 174.57 5.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -40.34 -55.69 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -45.62 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -74.91 -33.43 55.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.667 HG21 ' HB ' ' A' ' 85' ' ' ILE . 50.3 mt -65.59 -53.99 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -52.46 -61.29 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -42.26 8.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -66.56 -43.15 85.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.71 HG21 ' CG2' ' A' ' 82' ' ' VAL . 4.6 t -54.41 -50.47 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.5 -44.8 73.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -55.67 -50.61 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 24.5 t -62.22 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.767 ' CB ' HD11 ' A' ' 35' ' ' LEU . 61.8 mt -61.61 -34.05 74.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HG3' HD13 ' A' ' 35' ' ' LEU . 2.8 mttp -68.52 -40.25 80.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.19 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -50.24 -32.7 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.99 -33.63 57.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 10.5 mttp -58.83 -26.59 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.552 HD13 HD22 ' A' ' 24' ' ' LEU . 77.6 mt -101.9 111.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.06 135.52 70.18 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.811 1.291 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -17.76 8.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -104.93 -41.49 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.767 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.7 tt -42.06 119.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.69 144.02 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.943 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 p -55.41 -22.3 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -126.95 56.48 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.78 145.08 50.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 16.1 t-80 -88.49 144.04 26.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.514 ' CD1' HD12 ' A' ' 45' ' ' LEU . 16.8 m-30 -88.2 -3.12 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mtt -118.61 -35.46 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -86.37 -69.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -83.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.514 HD12 ' CD1' ' A' ' 41' ' ' PHE . 29.2 mt -41.22 -57.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.47 4.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 30' ' ' ILE . 2.2 mt -96.72 -176.12 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' A' ' 50' ' ' LEU . 2.7 m-20 -113.94 171.99 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.97 -46.38 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 0.0 110.074 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.875 ' O ' HG12 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -49.85 -36.21 26.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -77.95 -26.32 48.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' SER . 7.4 tm0? -71.44 -34.93 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.875 HG12 ' O ' ' A' ' 50' ' ' LEU . 7.5 p -68.99 -27.52 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -37.08 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.593 HG23 HD21 ' A' ' 24' ' ' LEU . 31.8 mt -62.02 -51.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.53 -59.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 mmt -43.9 -39.76 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -55.01 -45.36 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.43 ' HG3' HG21 ' A' ' 81' ' ' ILE . 22.4 mmt -70.83 -34.15 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -20.79 65.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.74 -52.95 3.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.525 ' OE1' ' CE1' ' A' ' 63' ' ' PHE . 7.2 tm-20 -53.5 -32.43 50.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.546 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 25.3 m-85 -105.7 -24.57 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 52.7 8.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 15.8 m-85 -121.12 -176.63 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -135.4 86.33 2.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -89.99 125.09 61.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.77 1.272 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.6 16.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.607 2.205 . . . . 0.0 112.322 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.11 -24.52 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.33 -25.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' CB ' HG23 ' A' ' 67' ' ' ILE . 0.8 OUTLIER -94.76 -50.23 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -48.19 -32.56 7.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.35 -32.2 54.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -80.62 -11.73 59.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.1 mt -94.58 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 11.6 mmt -131.93 17.06 4.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.51 159.62 30.67 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 122.84 1.305 . . . . 0.0 108.174 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.463 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.77 -42.27 3.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.621 2.214 . . . . 0.0 112.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -61.27 -35.8 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.9 -43.48 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' TYR . 16.0 mt -63.18 -54.54 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.065 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.71 ' CG2' HG21 ' A' ' 20' ' ' VAL . 94.7 t -42.83 -44.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.15 -45.55 72.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.522 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.1 t80 -65.36 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.667 ' HB ' HG21 ' A' ' 16' ' ' ILE . 17.4 mm -75.18 -62.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.532 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.54 -41.58 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.67 65.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ILE . 3.0 mmtp -59.11 -40.0 84.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.08 68.06 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.83 156.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.597 HG21 HD12 ' A' ' 11' ' ' LEU . 5.6 p -151.31 37.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -74.76 -0.73 19.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -40.86 144.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.7 p -153.49 162.58 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.8 151.91 22.18 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-O 122.777 1.209 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.61 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.282 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.3 t 179.79 170.75 1.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.9 p -153.3 93.14 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.076 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.937 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m 62.54 154.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.011 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m 64.24 154.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.963 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.8 -150.47 18.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.414 1.071 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.87 170.44 8.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.446 0.733 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -144.08 -58.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.68 -160.8 13.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.25 70.93 27.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.758 1.265 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' PRO . 65.1 Cg_exo -48.03 173.78 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' PRO . 66.9 Cg_exo -48.08 180.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.632 2.221 . . . . 0.0 112.332 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' C ' HG23 ' A' ' 12' ' ' THR . 1.2 mp -100.32 118.89 37.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 15' ' ' GLY . 76.0 p -151.49 174.51 13.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -40.81 -50.99 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.391 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.61 -43.36 25.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -76.18 -34.31 46.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.724 HG21 ' HB ' ' A' ' 85' ' ' ILE . 65.2 mt -63.99 -54.59 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.29 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -45.38 -46.3 13.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -60.8 -47.93 84.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.684 HG12 HD23 ' A' ' 21' ' ' LEU . 13.0 t -50.64 -54.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.74 -52.78 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -48.06 -53.68 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.977 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 35.9 t -57.42 -41.97 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.891 HD21 HG23 ' A' ' 55' ' ' ILE . 72.2 mt -65.31 -42.32 93.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' TYR . 29.1 mttt -57.53 -43.75 84.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 23' ' ' VAL . 87.9 mt -44.39 -27.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.7 t80 -86.34 101.1 12.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.72 -39.1 50.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -50.85 -28.62 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.888 HG12 HD11 ' A' ' 47' ' ' LEU . 56.2 mt -103.6 127.37 57.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.89 135.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.828 1.299 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.69 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -29.97 11.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . 16.4 mttm -91.92 -51.65 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.842 HD23 ' N ' ' A' ' 36' ' ' SER . 4.5 tt -40.31 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.842 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -163.8 129.5 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 79' ' ' GLN . 8.4 p -39.95 -30.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' SER . 41.9 m-20 -120.62 60.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -139.49 141.64 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.446 ' ND1' ' N ' ' A' ' 42' ' ' MET . 62.2 t-80 -75.59 173.98 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.879 ' HA ' HD12 ' A' ' 45' ' ' LEU . 69.1 m-85 -103.79 10.36 36.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.446 ' N ' ' ND1' ' A' ' 40' ' ' HIS . 62.2 mtt -144.65 -44.81 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -52.47 -49.76 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 3.8 t70 -108.51 -65.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 41' ' ' PHE . 88.6 mt -42.37 -77.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.73 57.08 0.7 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.888 HD11 HG12 ' A' ' 30' ' ' ILE . 20.4 mt -109.04 -171.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.7 165.57 20.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 p -53.84 -39.7 65.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.072 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.09 -28.42 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.664 ' OD2' HD22 ' A' ' 47' ' ' LEU . 3.3 m-20 -87.67 -24.74 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.172 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 35.4 tp60 -64.81 -35.68 81.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.35 -32.51 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -56.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.891 HG23 HD21 ' A' ' 24' ' ' LEU . 5.8 mt -44.46 -54.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.422 HG13 ' HB1' ' A' ' 72' ' ' ALA . 25.3 mm -56.11 -54.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.9 mmm -49.07 -27.47 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.977 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -66.99 -40.75 87.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.408 ' HG3' HG21 ' A' ' 81' ' ' ILE . 14.2 mmt -79.95 -22.06 43.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.82 -20.55 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -96.82 -44.78 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.36 -43.85 96.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 16' ' ' ILE . 68.1 m-85 -103.69 11.06 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.9 58.5 1.51 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.4 m-85 -116.18 -175.37 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -138.36 84.48 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.519 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 7.9 mt -89.52 121.52 69.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.836 1.303 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 162.45 41.99 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -24.69 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.3 -25.15 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -96.48 -51.54 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -47.08 -32.81 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' ' HE2' ' A' ' 76' ' ' MET . 21.5 pt-20 -75.44 -35.14 60.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -76.42 -17.8 59.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 34.8 mt -90.0 114.71 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.457 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 6.3 mmt -132.49 19.67 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.27 159.17 18.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.764 1.269 . . . . 0.0 108.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.5 Cg_endo -69.8 -40.74 4.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.469 ' HB2' HG22 ' A' ' 37' ' ' VAL . 5.0 tp60 -60.01 -38.96 84.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 78' ' ' PRO . 22.3 mt -72.94 -51.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.674 ' CG2' HG21 ' A' ' 20' ' ' VAL . 93.1 t -44.6 -40.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 31.7 t80 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.724 ' HB ' HG21 ' A' ' 16' ' ' ILE . 19.6 mm -74.58 -61.9 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.516 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.55 -56.76 2.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.72 -55.54 11.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -52.36 -36.77 54.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.5 69.1 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.228 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.8 119.71 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -139.25 33.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -108.66 44.99 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 72.55 -58.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.5 t -159.56 -52.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.85 148.24 17.66 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 122.756 1.198 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 179.58 3.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.405 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.4 -65.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.9 t 54.21 97.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -161.25 116.45 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.005 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -171.21 138.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.5 -169.73 12.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -89.85 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 109.989 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -179.22 94.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.36 69.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -111.59 151.2 43.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.861 1.315 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -48.03 152.9 3.01 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -48.01 152.41 3.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' GLY . 4.2 mt -88.98 93.16 9.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 11' ' ' LEU . 22.1 p 46.16 -166.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 110.389 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.64 HD11 ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -47.62 -49.72 26.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.23 -21.47 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -86.17 -23.96 42.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.699 HG21 ' HB ' ' A' ' 85' ' ' ILE . 40.1 mt -72.23 -56.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -51.87 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.35 -48.11 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -59.88 -51.7 68.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.668 HG12 HD23 ' A' ' 21' ' ' LEU . 4.0 t -46.86 -49.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -70.44 -53.91 14.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -44.43 -52.97 7.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.535 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 50.5 t -58.63 -44.05 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CB ' HD11 ' A' ' 35' ' ' LEU . 49.1 mt -62.52 -42.79 99.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 27' ' ' TYR . 7.2 mttp -58.2 -45.44 87.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.221 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -45.21 -26.57 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HB3' HD12 ' A' ' 30' ' ' ILE . 2.2 t80 -86.37 97.52 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.52 -50.73 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -40.51 -39.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.528 HD11 HD11 ' A' ' 55' ' ' ILE . 14.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.34 136.97 19.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.758 1.266 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.62 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -16.21 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.2 mttt -100.86 -49.76 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.927 HD23 ' N ' ' A' ' 36' ' ' SER . 5.3 tt -39.51 152.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.927 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -165.59 129.72 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.2 p -40.36 -29.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 36' ' ' SER . 9.5 t-20 -118.98 58.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.24 121.65 20.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 38.2 t-80 -66.88 151.17 48.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.85 ' HA ' HD12 ' A' ' 45' ' ' LEU . 87.7 m-85 -87.65 3.01 49.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.42 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 36.7 mtt -138.61 -44.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.77 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.04 -71.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' A' ' 41' ' ' PHE . 54.5 mt -54.56 -68.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.69 45.01 1.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.414 HD11 ' CG1' ' A' ' 30' ' ' ILE . 11.6 mt -94.2 176.99 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.01 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -63.43 -50.49 69.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.413 ' O ' HG12 ' A' ' 53' ' ' VAL . 11.9 mt -51.87 -23.62 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.3 m-20 -89.06 -26.84 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' SER . 15.2 tm0? -79.26 -30.05 42.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 50' ' ' LEU . 8.9 p -73.71 -40.67 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -49.78 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 51' ' ' ASP . 8.3 mt -47.73 -56.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.448 HG21 ' HB2' ' A' ' 72' ' ' ALA . 5.3 mm -51.7 -54.59 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.37 -32.52 11.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -63.3 -40.94 98.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.17 -28.61 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.29 -23.72 63.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.66 -49.29 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 12.2 tm-20 -52.09 -27.46 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.658 ' CD2' HD12 ' A' ' 85' ' ' ILE . 31.3 m-85 -114.65 -27.51 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.91 61.77 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 17.0 m-85 -126.84 -174.74 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -133.31 84.9 2.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 30.3 mt -94.49 114.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.791 1.282 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.2 Cg_endo -69.77 163.78 37.0 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.94 -25.43 68.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -96.16 -54.67 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB2' HG21 ' A' ' 56' ' ' ILE . . . -46.45 -37.21 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.86 -36.63 83.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.63 -12.23 60.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.372 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -98.09 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.417 ' HB3' ' NE2' ' A' ' 40' ' ' HIS . 9.5 mmt -132.65 18.32 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.72 159.43 31.33 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.756 1.265 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.5 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.5 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HB2' HG22 ' A' ' 37' ' ' VAL . 2.0 tm0? -54.9 -37.12 65.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.19 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 78' ' ' PRO . 10.6 mt -63.22 -53.57 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.59 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.7 t -42.52 -45.76 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.91 -43.93 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.4 t80 -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.699 ' HB ' HG21 ' A' ' 16' ' ' ILE . 6.6 mm -80.73 -62.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.64 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -40.14 -37.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.63 -50.55 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 7.0 mmtt -52.07 -30.73 27.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -71.98 -33.45 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -122.14 97.47 5.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.8 p -147.87 35.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -76.86 -0.36 23.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -49.67 30.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.16 143.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.954 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.38 154.7 11.2 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 122.787 1.215 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 141.42 45.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.6 p -127.24 129.06 47.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.936 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.57 92.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.963 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 56.97 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.62 130.82 38.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.57 166.78 34.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.159 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -148.3 113.3 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.043 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.83 158.99 44.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.93 -122.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mtt -135.07 84.92 35.51 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.727 1.251 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -47.95 170.25 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.374 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -47.9 157.79 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mt -99.5 98.4 9.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.4 p -140.32 163.79 31.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 86' ' ' ALA . 1.1 mm? -44.16 -47.59 9.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -42.56 -35.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.69 -41.5 74.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.619 HD12 HD13 ' A' ' 13' ' ' LEU . 74.5 mt -57.19 -52.81 51.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.579 0.811 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 20' ' ' VAL . 6.5 tt0 -54.42 -66.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.69 -44.08 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -63.09 -47.88 80.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.703 HG12 HD23 ' A' ' 21' ' ' LEU . 4.2 t -51.22 -46.77 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD23 HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -73.34 -51.32 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -47.95 -48.88 31.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.857 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 41.5 t -63.22 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.719 HD21 HG23 ' A' ' 55' ' ' ILE . 75.5 mt -65.69 -30.4 71.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 5.1 mttt -65.29 -42.14 93.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt -47.92 -30.1 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.1 t80 -80.84 98.9 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.01 -44.41 9.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -47.35 -37.29 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.45 HD11 HD11 ' A' ' 55' ' ' ILE . 33.2 mt -92.99 109.08 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.24 138.32 75.27 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 122.838 1.304 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -45.25 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -17.58 49.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.46 -42.11 6.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 24' ' ' LEU . 4.1 tt -40.09 122.35 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -140.49 139.75 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.3 p -50.4 -26.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.05 55.85 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -124.14 139.5 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 15.9 t-80 -89.58 152.0 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.678 ' HA ' HD12 ' A' ' 45' ' ' LEU . 71.2 m-85 -88.21 3.2 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.7 mtt -139.81 -48.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -55.17 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -83.28 -71.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 41' ' ' PHE . 75.0 mt -40.01 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.53 46.37 1.98 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mt -93.23 -170.87 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -114.11 163.09 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.7 OUTLIER -57.48 -42.38 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.876 ' O ' HG12 ' A' ' 53' ' ' VAL . 4.2 mp -52.51 -33.91 47.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 55' ' ' ILE . 6.1 m-20 -74.52 -22.95 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 6.1 tm0? -73.93 -38.98 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 50' ' ' LEU . 9.3 p -65.71 -27.7 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.95 -47.07 12.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.719 HG23 HD21 ' A' ' 24' ' ' LEU . 10.1 mt -51.5 -47.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.62 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.4 mm -61.78 -52.31 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -26.59 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.857 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -68.44 -41.83 79.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.418 ' HG3' HG21 ' A' ' 81' ' ' ILE . 18.7 mmt -77.27 -23.13 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.62 ' OE2' HG22 ' A' ' 56' ' ' ILE . 38.8 mt-10 -76.7 -23.28 53.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -97.21 -48.01 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HG3' HG21 ' A' ' 23' ' ' VAL . 4.0 tm-20 -54.55 -41.86 70.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.439 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 76.6 m-85 -109.77 15.29 22.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 63.56 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 88' ' ' LYS . 4.5 m-85 -122.71 -178.21 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.55 91.92 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -97.85 119.48 62.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.752 1.263 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.13 28.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -24.34 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -70.79 -25.32 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -101.21 -41.87 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.75 -22.79 64.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' HE2' ' A' ' 76' ' ' MET . 22.8 pt-20 -82.16 -33.4 29.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' A' ' 80' ' ' GLU . 17.9 mt -96.85 116.25 28.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.45 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 5.9 mmt -133.12 7.94 4.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.03 161.15 33.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.846 1.307 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.516 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.0 Cg_endo -69.82 -37.88 8.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.742 2.295 . . . . 0.0 112.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HB2' HG22 ' A' ' 37' ' ' VAL . 2.0 tp-100 -64.78 -35.14 80.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.489 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -61.15 -32.76 72.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 78' ' ' PRO . 14.8 mt -74.14 -52.04 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.665 ' CG2' HG21 ' A' ' 20' ' ' VAL . 92.5 t -44.75 -40.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.72 -41.53 99.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 13.5 t80 -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 9.6 mm -72.08 -61.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -39.93 -56.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -50.24 53.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -60.68 -24.0 65.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.234 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 2.6 tptt -79.82 -54.81 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 89' ' ' LYS . 11.7 t0 -61.06 151.18 31.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.69 33.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.86 36.13 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -143.1 140.03 30.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.35 116.46 11.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.087 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.39 127.82 1.41 Allowed Glycine 0 CA--C 1.53 1.006 0 CA-C-O 122.814 1.23 . . . . 0.0 110.992 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 98' ' ' SER . 53.4 Cg_endo -69.81 58.05 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.6 OUTLIER 60.28 -83.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.4 OUTLIER 83.36 144.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.77 144.79 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.31 164.33 38.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.046 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.62 -96.91 1.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -107.66 92.78 4.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 0.733 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.89 121.42 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.65 162.95 22.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -118.98 142.06 31.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.778 1.275 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.98 164.03 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' C ' HD23 ' A' ' 11' ' ' LEU . 66.2 Cg_exo -48.07 178.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.72 2.28 . . . . 0.0 112.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 10' ' ' PRO . 3.9 mt -105.87 95.8 6.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' GLY . 32.0 p -139.21 167.07 22.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.417 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -41.7 -54.46 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -46.98 -41.5 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -75.76 -41.27 29.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.585 HG21 ' HB ' ' A' ' 85' ' ' ILE . 33.8 mt -58.16 -56.12 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -51.08 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -43.71 -46.63 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -60.68 -51.99 67.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.758 HG21 ' CG2' ' A' ' 82' ' ' VAL . 17.4 t -44.01 -39.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -76.7 -41.45 45.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.85 -55.26 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.516 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 69.7 t -57.64 -40.87 77.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.703 HD22 HD13 ' A' ' 30' ' ' ILE . 70.9 mt -68.14 -34.9 77.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.4 mttt -64.08 -45.94 86.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.42 -25.56 4.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.5 t80 -82.54 98.79 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.78 -40.64 9.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.591 1.182 . . . . 0.0 109.37 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.06 -37.53 46.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.703 HD13 HD22 ' A' ' 24' ' ' LEU . 29.9 mt -96.21 103.09 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.87 138.84 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.786 1.279 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.77 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.5 -14.66 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -106.69 -39.69 5.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 24' ' ' LEU . 2.0 tt -40.52 122.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.39 143.86 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' CG ' ' A' ' 79' ' ' GLN . 2.6 p -54.31 -20.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -124.96 59.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -123.71 129.98 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 46.3 t-80 -74.79 146.4 42.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.643 ' HE2' HG21 ' A' ' 55' ' ' ILE . 4.2 m-30 -83.81 8.02 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.428 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 29.0 mtt -144.86 -56.91 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -40.63 -62.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 41' ' ' PHE . 82.0 mt -40.56 -56.4 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.45 44.01 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.61 164.15 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -100.34 174.41 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 p -62.28 -50.12 72.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 53' ' ' VAL . 9.2 mt -51.73 -23.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.1 m-20 -88.95 -26.71 21.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 14.2 tm0? -78.68 -30.38 46.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 50' ' ' LEU . 8.4 p -73.01 -39.24 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -44.87 75.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.643 HG21 ' HE2' ' A' ' 41' ' ' PHE . 13.1 mt -51.66 -54.2 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.447 HG13 ' HB1' ' A' ' 72' ' ' ALA . 14.8 mm -49.89 -62.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.47 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -52.38 -47.17 66.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ILE . 17.4 mmt -67.41 -37.74 83.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -61.96 -19.2 62.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -98.94 -53.21 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -52.81 -37.13 59.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 48.6 m-85 -104.26 -13.05 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.16 52.84 44.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.656 ' HE2' HG23 ' A' ' 85' ' ' ILE . 10.3 m-85 -117.82 178.57 4.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 85.67 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.523 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 5.8 mt -93.22 121.79 64.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.805 1.288 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.66 30.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.743 2.295 . . . . 0.0 112.295 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -24.6 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -68.71 -25.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.481 ' CB ' HG23 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -97.23 -46.95 5.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -53.23 -28.1 25.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' O ' ' HE2' ' A' ' 76' ' ' MET . 9.4 pt-20 -77.11 -34.53 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -11.13 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 72' ' ' ALA . 17.9 mt -95.36 117.75 30.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.538 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 17.2 mmt -124.63 -38.76 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.433 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -104.83 165.2 13.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 122.755 1.264 . . . . 0.0 108.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.83 -39.04 6.84 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.462 ' CG ' ' CG2' ' A' ' 37' ' ' VAL . 1.1 tm0? -67.06 -28.68 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.37 -50.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.758 ' CG2' HG21 ' A' ' 20' ' ' VAL . 94.4 t -45.16 -43.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.223 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -46.77 65.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.523 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.0 t80 -65.78 -37.6 86.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.656 HG23 ' HE2' ' A' ' 65' ' ' PHE . 31.4 mm -66.19 -61.99 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.525 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -39.3 -57.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -44.59 -53.66 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -53.81 -39.65 65.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.88 67.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -42.66 111.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.6 p -131.33 37.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -87.35 41.67 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -88.17 94.91 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.61 127.02 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.52 165.68 51.88 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 122.768 1.205 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 133.47 25.47 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.297 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.9 m -61.12 148.81 39.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.438 1.086 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.86 100.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.63 80.06 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 109.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -144.27 89.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.79 142.65 8.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -123.04 100.59 6.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 109.936 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -127.8 128.49 45.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.397 1.061 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.93 119.37 4.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.426 1.079 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttt -126.63 83.35 65.11 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 122.83 1.3 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.98 156.05 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.289 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.93 -179.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.21 118.27 35.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.0 p -134.08 168.34 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.423 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.703 HD13 HD12 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -49.21 -41.92 38.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -50.48 -23.69 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.81 -31.9 22.71 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.703 HD12 HD13 ' A' ' 13' ' ' LEU . 49.0 mt -67.7 -56.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -49.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -41.94 -49.95 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mmt-85 -59.22 -52.78 64.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.697 HG21 ' CG2' ' A' ' 82' ' ' VAL . 24.0 t -43.66 -49.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -73.56 -57.0 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -38.84 -53.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 26' ' ' LEU . 83.8 t -59.22 -51.38 73.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 30' ' ' ILE . 75.1 mt -54.98 -34.2 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -69.01 -42.41 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 23' ' ' VAL . 37.1 mt -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.02 104.36 10.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -52.4 -37.44 56.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 1.3 mtpt -53.44 -32.11 48.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.623 HD13 HD22 ' A' ' 24' ' ' LEU . 59.7 mt -96.25 141.29 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 137.32 19.19 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 122.817 1.294 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.76 72.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -81.36 -43.33 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.835 HD12 ' H ' ' A' ' 36' ' ' SER . 1.4 tp -48.61 154.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.835 ' H ' HD12 ' A' ' 35' ' ' LEU . 2.1 m -174.95 144.74 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 79' ' ' GLN . 4.2 p -47.4 -25.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' SER . 3.0 m120 -129.88 65.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.11 117.25 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.26 168.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.806 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.7 m-30 -103.09 11.39 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.5 mtt -143.66 -47.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 1.8 pttt -55.26 -50.71 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 22.0 t0 -100.14 -64.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 41' ' ' PHE . 80.5 mt -50.53 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.13 40.13 1.72 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.568 HD11 HG12 ' A' ' 30' ' ' ILE . 4.7 mt -94.03 -170.01 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.72 174.05 9.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 15.5 p -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.4 mt -50.69 -27.06 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.539 ' OD2' HD22 ' A' ' 47' ' ' LEU . 11.7 m-20 -87.67 -27.71 22.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 33.9 tp60 -62.15 -37.4 85.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.77 -37.05 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -49.3 49.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 15.5 mt -52.54 -62.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.509 HG13 ' HB1' ' A' ' 72' ' ' ALA . 10.3 mm -50.64 -57.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 mmt -41.84 -39.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.611 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -59.29 -46.65 87.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.502 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 16.1 mmt -66.46 -34.98 79.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.76 -18.39 59.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -99.45 -52.88 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 2.2 mm-40 -52.52 -31.4 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 37.3 m-85 -108.15 -22.18 12.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 58.91 5.99 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 88' ' ' LYS . 14.0 m-85 -126.0 -176.11 3.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 0.797 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -132.15 84.71 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' A' ' 71' ' ' ASP . 9.1 mt -92.74 116.92 67.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.844 1.307 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.73 161.65 45.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.39 -24.83 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -68.32 -25.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.532 ' HB3' HG23 ' A' ' 67' ' ' ILE . 1.3 m-20 -96.5 -52.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -49.76 -30.5 9.6 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.612 1.195 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 76' ' ' MET . 18.9 pt-20 -76.4 -29.97 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.29 -14.98 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 22.2 mt -92.38 116.88 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.497 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 25.9 mmt -119.02 -26.55 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.4 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -121.34 163.22 31.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 0.0 108.371 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.422 ' HB2' ' CG1' ' A' ' 20' ' ' VAL . 53.6 Cg_endo -69.82 -39.84 5.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.425 ' HB2' HG22 ' A' ' 37' ' ' VAL . 4.3 tp60 -54.19 -48.86 70.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.437 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -48.8 -41.13 31.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 56.0 mt -64.45 -47.85 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.697 ' CG2' HG21 ' A' ' 20' ' ' VAL . 93.9 t -52.81 -40.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.6 t80 -61.72 -61.18 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.604 ' HB ' HG21 ' A' ' 16' ' ' ILE . 27.4 mm -39.33 -58.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB2' HD21 ' A' ' 13' ' ' LEU . . . -39.75 -55.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mmtt -55.21 -40.06 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' ALA . 4.8 tmtt? 42.34 66.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -66.2 113.03 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 91' ' ' VAL . 8.4 p -143.87 36.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -88.16 41.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.78 150.63 22.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.9 m -136.9 -59.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.66 -174.1 42.05 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 122.787 1.215 . . . . 0.0 111.039 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 140.43 42.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.7 m -111.43 84.9 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m 62.55 152.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.96 81.82 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -160.01 167.01 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.05 140.72 12.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.4 1.062 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -142.77 163.97 31.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -146.23 88.52 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.003 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.37 -107.07 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.7 ptp -165.52 149.65 7.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.753 1.263 . . . . 0.0 111.058 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.96 152.52 3.18 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.01 173.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mt -102.34 104.55 15.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 p -132.05 164.99 25.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.402 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -41.72 -46.92 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -51.83 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.04 -37.15 64.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.566 HG21 ' HB ' ' A' ' 85' ' ' ILE . 94.2 mt -57.21 -57.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.5 tt0 -54.5 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -40.02 -46.6 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.213 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -60.2 -48.26 82.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.648 HG21 ' CG2' ' A' ' 82' ' ' VAL . 18.8 t -51.68 -39.19 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 21' ' ' LEU . 1.1 mt -78.67 -48.58 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -52.12 -46.8 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.597 HG21 ' HG2' ' A' ' 62' ' ' GLU . 56.2 t -67.47 -48.29 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.851 ' CB ' HD11 ' A' ' 35' ' ' LEU . 38.8 mt -58.3 -27.21 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 27' ' ' TYR . 5.7 mttt -72.06 -45.92 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 mt -43.5 -27.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.4 t80 -82.77 97.47 8.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 111.06 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -45.66 -42.83 11.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -48.94 -37.85 21.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 55' ' ' ILE . 13.2 mt -92.29 108.2 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.5 138.43 93.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.772 1.273 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.4 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -19.73 57.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -97.62 -42.01 7.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.851 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -43.05 104.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.41 136.54 41.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.465 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 1.1 m -45.44 -40.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -101.95 51.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.47 118.53 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -70.37 146.48 50.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 14.9 m-85 -84.55 -4.71 59.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 -47.63 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -69.91 -60.92 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -85.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -42.11 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.6 57.37 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 30' ' ' ILE . 7.8 mt -100.26 -170.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 0.811 . . . . 0.0 109.363 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -119.32 155.6 31.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -51.5 -45.06 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.43 -33.47 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.63 -26.56 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.4 tm0? -64.71 -46.22 83.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.09 -31.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -51.55 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.736 HG23 HD21 ' A' ' 24' ' ' LEU . 8.8 mt -45.87 -43.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 72' ' ' ALA . 13.0 mm -64.94 -59.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.398 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.9 mtt -40.74 -52.31 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -44.96 -52.53 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.48 -35.2 75.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' OE2' HG22 ' A' ' 56' ' ' ILE . 36.8 mt-10 -66.25 -21.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -99.31 -50.92 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.597 ' HG2' HG21 ' A' ' 23' ' ' VAL . 25.9 tp10 -52.02 -29.26 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.669 ' CD2' HD12 ' A' ' 85' ' ' ILE . 35.1 m-85 -112.4 -25.0 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.99 73.47 1.08 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.0 m-85 -139.96 -177.34 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -134.22 80.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.523 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 9.6 mt -91.08 117.77 68.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.815 1.293 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.69 26.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -24.5 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.372 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 2.1 pt -65.6 -28.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.501 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -97.12 -54.22 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -46.69 -35.7 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -69.06 -36.22 77.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -72.85 -13.5 61.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 72' ' ' ALA . 16.2 mt -94.97 116.42 28.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmt -127.27 5.14 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 161.13 43.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.793 1.282 . . . . 0.0 108.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.76 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.1 Cg_endo -69.77 -50.27 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -54.3 -37.6 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -37.35 69.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 78' ' ' PRO . 7.3 mt -69.31 -51.69 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.648 ' CG2' HG21 ' A' ' 20' ' ' VAL . 76.0 t -43.25 -47.28 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -51.97 -45.09 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.523 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -66.33 -31.43 72.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.669 HD12 ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.74 -59.22 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' LYS . . . -44.55 -53.07 7.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -46.85 29.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' LYS . 6.1 mmtt -50.86 -31.26 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 39.77 68.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.7 116.94 29.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 91' ' ' VAL . 8.7 p -132.85 37.17 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.51 34.57 0.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 49.26 85.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t -47.26 163.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -168.45 -172.57 35.48 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 122.734 1.186 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -58.65 6.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.193 . . . . 0.0 110.049 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.5 m -76.97 85.12 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.935 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.51 166.51 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.434 0.726 . . . . 0.0 109.992 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t 65.9 83.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.964 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.46 86.68 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.414 1.071 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -136.65 145.98 45.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.07 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.47 -59.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.6 -130.18 3.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.8 ttm -157.82 105.23 1.77 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.727 1.251 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.93 165.93 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.401 ' C ' HD23 ' A' ' 11' ' ' LEU . 64.6 Cg_exo -48.02 177.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.375 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 10' ' ' PRO . 4.2 mt -104.99 105.82 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.1 p -131.94 157.96 42.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -43.44 -43.8 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.375 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.54 -29.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -74.82 -61.82 2.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.715 HD12 HD22 ' A' ' 13' ' ' LEU . 15.6 mt -40.47 -54.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 9.7 tt0 -47.86 -65.2 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 8.1 t0 -38.42 -60.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.47 -58.01 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.738 HG21 ' CG2' ' A' ' 82' ' ' VAL . 50.7 t -39.85 -31.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.8 mt -89.88 -52.72 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -46.33 -40.15 11.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.719 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 48.5 t -74.97 -50.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.706 HD22 HD13 ' A' ' 30' ' ' ILE . 14.5 mt -52.21 -28.69 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' HD23 ' A' ' 35' ' ' LEU . 19.4 mttt -74.09 -46.74 41.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 mt -40.92 -36.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -72.48 106.85 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.16 -20.78 43.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -70.31 -33.36 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.391 1.057 . . . . 0.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.706 HD13 HD22 ' A' ' 24' ' ' LEU . 51.2 mt -95.5 143.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.93 141.4 22.47 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 122.827 1.299 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -46.44 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.765 2.31 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -34.07 73.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.8 -40.95 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -50.47 146.97 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.553 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -170.31 143.62 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.4 p -48.92 -27.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -122.75 59.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.09 112.34 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -59.06 167.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.866 ' HA ' HD12 ' A' ' 45' ' ' LEU . 9.8 m-30 -99.0 6.88 46.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.3 mtt -139.9 -45.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 8.9 pttt -57.36 -51.24 70.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 6.6 t70 -99.51 -65.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 41' ' ' PHE . 95.4 mt -49.76 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.36 39.39 1.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.525 HD11 HG12 ' A' ' 30' ' ' ILE . 2.5 mt -95.0 -173.81 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -122.35 170.81 9.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -60.9 -42.72 98.56 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.382 1.052 . . . . 0.0 109.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.22 -33.69 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -86.02 -27.8 24.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.1 tm0? -62.75 -44.09 97.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.62 -31.28 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -46.29 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.507 ' CG2' HD21 ' A' ' 24' ' ' LEU . 10.2 mt -55.38 -47.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' MET . 11.1 mm -56.05 -60.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mmt -39.93 -45.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.719 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -51.65 -46.43 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.457 ' HG3' HD13 ' A' ' 81' ' ' ILE . 19.2 mmt -71.39 -25.3 62.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' CG ' HD12 ' A' ' 67' ' ' ILE . 42.4 mt-10 -73.35 -20.92 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.02 -49.74 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.513 ' OE2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -52.47 -36.82 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CD2' HD12 ' A' ' 85' ' ' ILE . 30.6 m-85 -105.44 -19.19 13.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.33 73.08 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.5 m-85 -139.56 -172.26 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -138.13 84.12 2.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.515 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 6.2 mt -89.35 118.64 69.29 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.794 1.283 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.68 30.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -24.5 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -69.18 -24.63 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' HB3' HG23 ' A' ' 67' ' ' ILE . 2.0 m-20 -96.36 -50.32 4.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -50.21 -33.36 19.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' O ' ' HE3' ' A' ' 76' ' ' MET . 13.0 pt-20 -72.16 -32.87 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -16.96 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 25.5 mt -90.59 120.1 31.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.484 ' HE3' ' O ' ' A' ' 73' ' ' GLU . 23.1 mmt -125.33 -38.94 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.431 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -105.84 164.97 13.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.816 1.293 . . . . 0.0 108.245 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.3 Cg_endo -69.75 -39.25 6.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.613 2.209 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HB2' HG22 ' A' ' 37' ' ' VAL . 1.6 tp60 -63.52 -31.5 72.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -60.16 -34.35 73.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 59' ' ' MET . 55.9 mt -73.78 -50.74 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.738 ' CG2' HG21 ' A' ' 20' ' ' VAL . 89.3 t -43.5 -43.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -56.45 -44.32 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.087 . . . . 0.0 109.225 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.515 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 38.8 t80 -64.79 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.634 HD12 ' CD2' ' A' ' 63' ' ' PHE . 16.5 mm -73.52 -59.56 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.734 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -39.68 -45.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.01 -50.81 63.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.496 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mmtt -59.38 -39.87 84.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER 40.32 51.66 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t70 44.7 83.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.84 33.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 94' ' ' SER . 2.7 m-85 -113.45 36.08 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.07 73.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 92' ' ' TYR . 0.4 OUTLIER 179.36 169.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.038 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.37 165.04 38.72 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-O 122.779 1.21 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -179.24 2.79 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.237 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.3 p -156.1 114.77 3.43 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.462 1.101 . . . . 0.0 109.931 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t 39.49 90.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.951 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.094 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.05 110.8 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.76 144.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.016 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.45 88.06 0.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -108.28 111.74 23.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.752 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 p -160.06 104.86 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.85 143.11 0.34 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -158.91 87.6 2.21 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 122.837 1.304 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.9 163.93 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.94 178.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.295 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mp -104.02 -168.55 1.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -149.4 167.71 25.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.615 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -47.6 -46.87 28.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.379 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.56 -31.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.05 -57.05 5.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.8 mt -42.89 -56.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 8.2 tt0 -48.68 -67.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.4 t0 -42.16 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 5.2 mpt_? -39.05 -60.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG12 HD23 ' A' ' 21' ' ' LEU . 4.5 t -39.56 -44.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -77.42 -56.88 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -38.82 -47.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.578 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 29.0 t -63.06 -46.46 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 55' ' ' ILE . 59.3 mt -56.16 -41.46 75.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -61.06 -50.73 72.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 mt -41.71 -31.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.71 97.03 6.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.7 -36.31 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.16 -33.6 41.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.764 HD11 HD11 ' A' ' 55' ' ' ILE . 58.6 mt -102.96 134.09 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.32 138.32 28.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.812 1.292 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 -47.78 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -25.6 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -88.81 -36.13 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' H ' ' A' ' 36' ' ' SER . 2.8 tp -57.59 156.67 7.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.66 ' H ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER 174.41 146.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.973 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -48.5 -41.52 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -98.99 49.12 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.065 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.58 98.69 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 25.9 t-80 -58.48 155.98 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 10.8 m-85 -90.8 -15.43 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.436 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -122.21 -46.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 17.8 mttt -67.84 -13.52 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.74 -81.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 41' ' ' PHE . 89.3 mt -43.66 -40.18 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.87 0.96 89.08 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.844 HD13 ' OD2' ' A' ' 51' ' ' ASP . 3.9 mt -50.13 157.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 56.6 p30 -96.74 164.78 12.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -45.7 -39.88 8.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.912 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.4 mt -47.18 -33.37 5.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.844 ' OD2' HD13 ' A' ' 47' ' ' LEU . 8.1 t0 -79.59 -34.75 40.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -57.32 -50.16 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.26 -46.88 94.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -60.14 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.764 HD11 HD11 ' A' ' 30' ' ' ILE . 9.6 mt -45.58 -57.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 14.3 mm -49.2 -60.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.0 mtt -46.64 -39.68 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -54.72 -44.14 73.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.7 mmt -72.04 -24.92 61.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.37 -22.69 59.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -99.57 -47.47 5.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -53.19 -42.81 66.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.54 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 87.5 m-85 -109.71 11.5 24.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.17 65.95 1.49 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 6.0 m-85 -123.75 -175.62 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 0.758 . . . . 0.0 111.024 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -144.79 82.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 84' ' ' TYR . 8.4 mt -93.19 121.91 64.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.784 1.278 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 163.96 36.43 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.67 -25.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 70' ' ' ILE . 68.4 m-20 -96.28 -31.8 12.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.31 -37.68 68.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' HE2' ' A' ' 76' ' ' MET . 20.1 pt-20 -59.0 -32.16 69.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -79.37 -26.51 42.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 80' ' ' GLU . 51.5 mt -83.02 115.61 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.401 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 7.2 mmt -133.57 16.45 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -158.6 164.95 19.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 122.891 1.329 . . . . 0.0 108.214 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.663 ' HA ' HD12 ' A' ' 81' ' ' ILE . 52.6 Cg_endo -69.86 -49.6 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.623 2.216 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -51.95 -49.3 63.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.528 ' HB3' HD23 ' A' ' 75' ' ' LEU . 4.0 mt-10 -45.54 -40.06 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 78' ' ' PRO . 9.2 mt -68.1 -48.57 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 20' ' ' VAL . 98.5 t -46.58 -44.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.55 -39.8 95.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.563 ' CE1' HG12 ' A' ' 67' ' ' ILE . 9.1 t80 -65.46 -36.74 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 2.2 mm -71.75 -56.19 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.75 -51.5 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.79 -53.6 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -54.65 -39.7 68.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.236 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -38.08 73.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.24 104.96 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 92' ' ' TYR . 3.9 p -137.23 15.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 91' ' ' VAL . 5.7 m-85 30.65 87.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -123.53 146.78 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 t -143.77 81.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.65 -165.7 12.36 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-O 122.796 1.22 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 113.39 3.35 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 t -151.09 -47.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 126.54 36.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.91 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 111.025 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -71.5 143.09 50.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -156.63 83.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.31 126.71 2.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -142.81 132.34 23.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 0.802 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.42 111.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.45 104.55 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.587 1.179 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.23 144.71 28.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 122.789 1.281 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' PRO . 64.3 Cg_exo -47.93 155.18 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' PRO . 64.8 Cg_exo -47.85 -179.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.754 2.303 . . . . 0.0 112.376 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.36 95.56 8.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.0 p -125.62 155.66 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -42.7 -45.83 4.86 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -38.56 -30.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -75.71 -54.33 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.579 HG21 ' HB ' ' A' ' 85' ' ' ILE . 57.7 mt -46.41 -58.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.21 -61.05 1.94 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.74 -54.77 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 15' ' ' GLY . 10.2 mpt_? -51.59 -56.52 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.723 HG21 ' CG2' ' A' ' 82' ' ' VAL . 9.4 t -42.52 -40.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -79.25 -60.7 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -42.55 -45.39 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 t -65.72 -48.23 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.794 HD21 HG23 ' A' ' 55' ' ' ILE . 51.1 mt -60.72 -30.85 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HG3' HD13 ' A' ' 35' ' ' LEU . 8.0 mttt -65.66 -49.99 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.2 mt -41.6 -33.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.4 t80 -76.29 100.56 5.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.27 -36.48 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 13.9 mtpt -54.73 -36.5 64.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 1.038 HD11 HD11 ' A' ' 55' ' ' ILE . 24.1 mt -93.17 115.15 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 137.18 66.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.84 1.305 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -46.54 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -15.9 13.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -105.4 -39.72 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.793 HD11 ' CB ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -44.28 127.22 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 78' ' ' PRO . 1.0 OUTLIER -153.14 146.76 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 79' ' ' GLN . 10.5 p -56.34 -30.14 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 7.9 p-10 -112.01 44.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.2 125.06 44.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 76' ' ' MET . 24.1 t-80 -63.38 -167.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.652 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 76' ' ' MET . 22.0 m-85 -130.64 -39.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -98.0 -16.03 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -93.05 -76.2 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -78.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 mt -45.18 -53.85 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.46 43.64 5.16 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.793 HD13 ' OD2' ' A' ' 51' ' ' ASP . 4.3 mt -93.54 162.79 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.06 172.56 8.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 69.6 m -55.7 -41.91 74.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -47.08 -40.75 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.408 1.068 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.793 ' OD2' HD13 ' A' ' 47' ' ' LEU . 6.6 t70 -70.77 -32.4 69.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.3 tm0? -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.7 t -51.41 -50.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.77 -60.01 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 1.038 HD11 HD11 ' A' ' 30' ' ' ILE . 20.6 mt -48.57 -39.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.539 HG22 ' OE2' ' A' ' 60' ' ' GLU . 19.8 mm -65.9 -60.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -46.29 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.52 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.7 mmt -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.539 ' OE2' HG22 ' A' ' 56' ' ' ILE . 37.3 mt-10 -63.2 -23.16 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.54 -47.31 5.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -52.8 -40.01 62.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 85' ' ' ILE . 49.4 m-85 -103.14 -20.27 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.48 62.67 2.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CE1' ' HG3' ' A' ' 88' ' ' LYS . 13.3 m-85 -126.89 -178.93 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.754 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -131.65 81.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 71' ' ' ASP . 7.2 mt -89.05 115.86 64.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.832 1.301 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -179.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -24.31 54.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -22.11 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.572 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -98.84 -57.15 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -44.81 -42.91 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' HE2' ' A' ' 76' ' ' MET . 23.2 pt-20 -58.61 -38.57 78.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -73.83 -20.85 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 72' ' ' ALA . 42.0 mt -83.45 123.92 30.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.602 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 20.0 mmt -126.01 -39.94 2.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.515 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -110.99 168.54 7.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.813 1.292 . . . . 0.0 108.223 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.515 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 54.0 Cg_endo -69.74 -35.06 13.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.721 ' HB2' HG22 ' A' ' 37' ' ' VAL . 33.6 tp60 -64.66 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.87 -38.92 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 84' ' ' TYR . 15.1 mt -68.13 -51.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.723 ' CG2' HG21 ' A' ' 20' ' ' VAL . 91.5 t -44.47 -43.01 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -44.97 80.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.483 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.4 t80 -65.86 -34.6 78.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.579 ' HB ' HG21 ' A' ' 16' ' ' ILE . 15.0 mm -70.26 -59.2 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.78 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -40.1 -48.4 2.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -50.72 -52.38 40.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -54.16 -39.95 67.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 40.23 72.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.06 140.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 92' ' ' TYR . 4.2 p -97.28 15.15 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.492 ' C ' ' O ' ' A' ' 91' ' ' VAL . 5.9 m-85 30.57 83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -177.45 121.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.17 78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.12 -163.24 11.23 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 122.783 1.213 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -27.83 25.81 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.4 m -143.73 142.9 31.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 p -94.69 132.81 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.49 -57.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -168.51 100.86 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.73 -95.03 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m 56.4 170.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -148.86 138.49 21.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.94 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.69 165.21 24.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 88.55 30.64 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 122.847 1.308 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.89 153.16 2.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.403 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.43 ' C ' HD23 ' A' ' 11' ' ' LEU . 66.0 Cg_exo -48.05 173.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.667 2.244 . . . . 0.0 112.328 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 10' ' ' PRO . 4.2 mt -102.78 107.0 17.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.1 p -141.81 174.29 10.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -41.27 -60.05 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.54 -47.59 7.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.0 -40.36 88.76 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 13' ' ' LEU . 19.1 mt -59.44 -54.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 109.219 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' VAL . 8.0 tt0 -52.52 -65.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -40.59 -45.97 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.773 HG21 HG22 ' A' ' 82' ' ' VAL . 41.3 t -51.95 -37.09 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 21' ' ' LEU . 1.2 mt -81.62 -45.9 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -53.02 -51.08 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.993 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 53.4 t -63.92 -42.63 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.893 ' HB3' HD11 ' A' ' 35' ' ' LEU . 17.8 mt -63.38 -31.23 72.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HG3' HD13 ' A' ' 35' ' ' LEU . 1.9 mttp -68.85 -49.28 59.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.3 -28.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' N ' ' C ' ' A' ' 25' ' ' LYS . 1.6 t80 -81.03 100.47 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.33 -38.12 40.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -52.94 -35.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.775 HG12 HD11 ' A' ' 47' ' ' LEU . 50.3 mt -97.51 109.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.86 137.51 90.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.768 1.27 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -47.11 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.4 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -17.29 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -104.49 -35.42 7.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.893 HD11 ' HB3' ' A' ' 24' ' ' LEU . 1.1 tt -49.41 98.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -135.39 134.65 39.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.456 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.5 m -41.02 -50.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -86.08 44.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.393 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -132.63 128.75 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -78.36 165.07 24.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.697 ' HA ' HD12 ' A' ' 45' ' ' LEU . 61.0 m-85 -91.17 10.57 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtt -149.12 -51.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.06 -50.33 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 5.1 t0 -118.54 -60.66 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 41' ' ' PHE . 44.7 mt -39.63 -56.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.01 73.78 1.13 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.775 HD11 HG12 ' A' ' 30' ' ' ILE . 12.5 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 51' ' ' ASP . 9.1 m-20 -123.47 154.1 39.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -46.58 -39.04 10.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.0 -33.57 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' ASP . 39.0 m-20 -82.94 -23.41 33.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.1 tm0? -65.5 -36.83 85.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.9 t -67.72 -37.06 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -57.19 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.748 HG23 HD21 ' A' ' 24' ' ' LEU . 5.9 mt -41.8 -53.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.45 HG13 ' HB1' ' A' ' 72' ' ' ALA . 20.0 mm -55.12 -56.31 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mtm -44.91 -42.97 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.993 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -53.04 -44.81 67.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG3' HG21 ' A' ' 81' ' ' ILE . 15.9 mmt -73.76 -19.31 60.81 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -80.31 -22.72 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -97.77 -48.67 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.569 ' HG2' HG21 ' A' ' 23' ' ' VAL . 5.3 tp10 -52.08 -42.9 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CZ ' HG23 ' A' ' 16' ' ' ILE . 62.9 m-85 -110.51 15.42 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 69.36 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.8 m-85 -127.62 179.48 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' A' ' 66' ' ' GLU . 5.6 pt-20 -136.5 92.62 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 12.3 mt -102.94 119.38 55.69 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 122.867 1.318 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.75 33.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -24.42 67.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.03 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' HG23 ' A' ' 67' ' ' ILE . 42.8 m-20 -97.06 -28.08 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -75.29 -37.51 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' ' HE2' ' A' ' 76' ' ' MET . 16.6 pt-20 -61.37 -32.72 72.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -24.02 51.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 80' ' ' GLU . 29.0 mt -87.55 114.35 24.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.429 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 3.5 mmt -130.64 14.34 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.6 163.16 24.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 122.801 1.286 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.456 ' HG2' ' HA ' ' A' ' 37' ' ' VAL . 53.6 Cg_endo -69.78 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -55.6 -40.85 72.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.541 ' HB3' HD23 ' A' ' 75' ' ' LEU . 5.0 mt-10 -50.72 -39.81 52.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' A' ' 59' ' ' MET . 25.5 mt -68.41 -50.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.773 HG22 HG21 ' A' ' 20' ' ' VAL . 96.7 t -44.12 -45.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -56.02 -43.13 77.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.218 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 20.7 t80 -64.85 -31.67 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.468 ' HB ' HG21 ' A' ' 16' ' ' ILE . 4.7 mm -79.42 -63.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.442 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -39.85 -42.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.67 -47.65 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -50.91 -32.45 20.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.36 -51.59 19.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.12 172.79 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 m -91.86 30.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -86.21 42.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.73 142.82 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.0 169.75 23.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.996 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.34 147.76 26.02 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 122.869 1.261 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 52.59 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.653 2.235 . . . . 0.0 112.402 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.86 79.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.19 143.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 106.27 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -156.88 162.67 39.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.41 -175.15 21.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 62.31 132.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -157.65 91.66 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.07 -179.58 47.9 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mtt -135.22 85.22 33.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 122.825 1.298 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.96 162.75 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.585 2.19 . . . . 0.0 112.402 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -47.92 166.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.635 2.223 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -95.53 93.41 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' GLY . 10.4 p -127.6 170.15 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -44.4 -46.48 9.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.372 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.45 -37.5 57.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -79.3 -36.35 27.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.672 HG21 ' HB ' ' A' ' 85' ' ' ILE . 39.6 mt -62.89 -50.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.02 -64.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.36 -43.75 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 109.185 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -64.44 -48.83 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG21 ' CG2' ' A' ' 82' ' ' VAL . 27.1 t -47.08 -36.48 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.49 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.9 mt -85.28 -48.28 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -46.06 -51.65 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.825 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 97.5 t -62.9 -44.55 99.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 20' ' ' VAL . 49.8 mt -61.31 -30.56 70.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mttt -73.51 -35.14 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.8 mt -57.76 -30.28 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.2 t80 -81.06 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.0 -40.83 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.98 -37.17 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.578 HD11 HD11 ' A' ' 55' ' ' ILE . 52.8 mt -89.31 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.43 136.16 20.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.806 1.288 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -47.57 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -30.69 70.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -88.4 -35.28 17.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.7 tp -58.58 145.14 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -169.88 156.21 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 79' ' ' GLN . 5.7 p -49.18 -23.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -126.58 59.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 p -124.18 93.53 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 42' ' ' MET . 5.5 t-80 -55.67 119.0 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 2.4 m-85 -70.57 -11.55 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.578 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 22.4 tpp -101.62 -32.96 10.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -100.79 -82.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -38.74 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 16.8 mt -62.26 -57.41 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.99 14.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' PHE . 5.5 mt -76.06 174.08 10.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.87 156.43 18.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m -48.31 -41.58 28.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mt -51.39 -30.82 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 55' ' ' ILE . 90.7 m-20 -88.96 -25.27 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 3.1 tm0? -66.92 -44.92 79.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.28 -40.9 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -58.28 8.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.641 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 5.0 mt -43.04 -51.38 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.7 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.6 mm -55.45 -55.73 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mmt -52.89 -25.56 12.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.825 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -67.25 -39.39 86.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.2 mmt -77.4 -27.05 52.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.7 ' OE2' HG22 ' A' ' 56' ' ' ILE . 33.6 mt-10 -71.73 -28.62 63.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.01 -43.51 13.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.366 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 40.3 m-85 -104.91 0.73 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 52.83 45.83 60.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 63' ' ' PHE . 12.1 m-30 -102.93 -177.67 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.94 84.31 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.23 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.43 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 48.0 mt -99.49 105.09 31.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.747 1.26 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.4 Cg_endo -69.76 156.11 64.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.652 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 1.6 m-20 -52.31 -33.3 41.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.35 -37.66 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.99 -12.66 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 69' ' ' ASP . . . -85.61 -51.03 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' A' ' 76' ' ' MET . 19.5 pt-20 -52.27 -26.6 12.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -78.54 -25.9 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 27.7 mt -85.58 112.9 21.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 7.0 mmt -115.62 -23.53 8.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.85 163.31 33.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.707 1.241 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.73 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.4 Cg_endo -69.8 -46.69 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.552 ' HB2' HG22 ' A' ' 37' ' ' VAL . 4.3 tm0? -49.49 -42.67 44.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -53.07 -36.65 60.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 78' ' ' PRO . 17.7 mt -69.12 -46.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.715 ' CG2' HG21 ' A' ' 20' ' ' VAL . 97.4 t -53.31 -40.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 5.3 t80 -60.2 -63.51 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.672 ' HB ' HG21 ' A' ' 16' ' ' ILE . 21.6 mm -40.11 -59.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 89' ' ' LYS . . . -52.11 -62.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -45.95 -31.87 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.588 ' HG2' ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -74.46 -41.18 61.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.9 OUTLIER 40.42 83.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -47.66 104.08 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 92' ' ' TYR . 3.3 p -112.29 15.2 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 91' ' ' VAL . 5.5 m-85 30.76 85.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' HG13 ' A' ' 91' ' ' VAL . 3.0 tt0 -149.59 90.9 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 p 55.3 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.79 -165.08 29.2 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 122.769 1.205 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.63 18.41 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 m -101.3 146.63 27.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.13 104.42 16.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m 46.65 94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.938 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.96 167.09 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.84 94.36 0.15 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -61.99 -57.9 9.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 0.716 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -147.99 147.59 29.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . -64.23 -143.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.572 1.17 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.501 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 164.81 -53.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 122.8 1.286 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 64.5 Cg_exo -47.95 148.48 6.54 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' C ' HD23 ' A' ' 11' ' ' LEU . 64.1 Cg_exo -47.96 176.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 10' ' ' PRO . 4.8 mt -102.93 111.82 24.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.9 p -137.54 174.36 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.557 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -49.09 -41.09 34.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.64 71.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.8 -32.22 30.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.708 HG21 ' HB ' ' A' ' 85' ' ' ILE . 86.6 mt -63.94 -52.68 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' VAL . 4.1 tt0 -54.97 -65.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -40.34 -46.71 2.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -60.38 -48.12 83.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.667 HG12 HD23 ' A' ' 21' ' ' LEU . 4.6 t -52.24 -52.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.667 HD23 HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -65.78 -44.54 85.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 26' ' ' LEU . 32.6 t80 -54.1 -58.91 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.593 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 54.3 t -51.92 -36.59 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' HB3' HG21 ' A' ' 30' ' ' ILE . 40.1 mt -69.69 -45.57 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -63.43 -31.52 72.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.381 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 22' ' ' TYR . 52.7 mt -65.99 -15.57 63.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' LYS . 27.2 t80 -73.61 -12.36 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 66.62 -68.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -46.1 -31.77 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 55' ' ' ILE . 84.8 mt -84.68 102.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.3 135.48 88.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.8 1.286 . . . . 0.0 109.232 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.734 2.289 . . . . 0.0 112.275 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -37.51 73.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -81.1 -40.91 23.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.77 HD12 ' H ' ' A' ' 36' ' ' SER . 1.4 tp -54.02 153.63 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.77 ' H ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -179.13 142.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -39.92 -55.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -86.84 45.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' SER . 15.9 p -118.86 133.23 55.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -85.54 156.91 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.729 ' HA ' HD12 ' A' ' 45' ' ' LEU . 64.7 m-85 -90.45 11.91 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.3 mtt -150.95 -46.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -49.45 -52.34 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -111.2 -64.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 41' ' ' PHE . 94.0 mt -39.56 -68.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.26 63.41 1.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.508 HD11 HG12 ' A' ' 30' ' ' ILE . 4.8 mt -117.99 157.58 26.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.48 163.08 15.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -53.65 -48.29 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.968 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.51 -22.2 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.5 -29.1 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.199 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 5.6 tm0? -75.75 -37.95 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 54' ' ' GLU . 6.7 p -64.88 -50.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -60.6 -39.3 87.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 110.211 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 30' ' ' ILE . 25.8 mt -57.43 -63.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.774 HG22 ' OE2' ' A' ' 60' ' ' GLU . 39.2 mm -40.81 -50.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.37 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.593 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -48.09 -40.43 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.444 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 20.3 mmt -75.04 -35.04 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.903 ' HG3' HD12 ' A' ' 67' ' ' ILE . 26.4 mt-10 -64.3 -25.21 67.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -92.5 -50.22 5.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 2.2 tp10 -57.05 -26.54 60.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.639 ' CD2' HD12 ' A' ' 85' ' ' ILE . 27.1 m-85 -112.06 -20.88 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 71.2 69.27 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE1' ' HE3' ' A' ' 88' ' ' LYS . 15.1 m-85 -138.16 176.01 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -124.48 86.72 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 60' ' ' GLU . 16.3 mt -93.58 112.92 58.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 122.766 1.269 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.81 159.8 52.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -26.34 62.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.4 -25.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 70' ' ' ILE . 19.1 m-20 -100.81 -50.83 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.636 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -49.19 -31.17 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' O ' ' HE2' ' A' ' 76' ' ' MET . 25.1 pt-20 -73.79 -37.98 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -16.09 63.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 32.3 mt -91.83 110.17 21.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.447 ' HE1' ' NE2' ' A' ' 52' ' ' GLN . 4.0 mmt -129.12 19.99 5.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.31 160.54 26.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.729 1.252 . . . . 0.0 108.332 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HG2' ' HA ' ' A' ' 37' ' ' VAL . 53.2 Cg_endo -69.85 -48.87 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -54.66 -43.88 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.04 -41.96 60.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' TYR . 19.9 mt -66.32 -51.52 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.582 HG22 HG21 ' A' ' 20' ' ' VAL . 91.4 t -42.91 -44.87 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.15 -43.53 82.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 28.5 t80 -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.708 ' HB ' HG21 ' A' ' 16' ' ' ILE . 5.9 mm -83.74 -62.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.557 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -40.12 -42.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.99 -50.37 68.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 65' ' ' PHE . 5.6 mmtt -51.06 -36.21 38.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.53 81.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.46 137.25 43.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.23 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 91' ' ' VAL . 8.4 p -103.2 36.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.39 39.08 0.96 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -132.03 -54.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.7 m -60.85 109.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.952 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 153.99 -95.8 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 CA-C-O 122.845 1.247 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 -48.99 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.635 2.223 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -108.54 130.2 55.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.06 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t 61.87 142.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.938 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m 62.06 147.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -137.4 95.24 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.024 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.12 142.19 13.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.52 159.51 40.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -136.51 -63.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . 65.21 142.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.508 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER 165.07 -53.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.77 1.272 . . . . 0.0 111.03 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 64.0 Cg_exo -47.95 161.76 0.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.02 165.88 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.281 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mt -90.59 98.55 11.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 p -135.66 173.25 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -41.45 -57.74 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 4.6 tt0 -38.9 -58.23 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.77 -46.32 92.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.738 HG21 ' HB ' ' A' ' 85' ' ' ILE . 46.5 mt -51.48 -55.35 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' VAL . 10.1 tt0 -51.62 -68.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . 20.7 t0 -39.06 -45.58 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -62.6 -48.0 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG21 ' CG2' ' A' ' 82' ' ' VAL . 19.3 t -49.74 -30.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.4 mt -91.51 -40.78 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -54.25 -47.84 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 74.3 t -67.43 -44.4 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD21 HG23 ' A' ' 55' ' ' ILE . 61.7 mt -63.5 -26.01 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 35' ' ' LEU . 15.2 mttt -78.68 -45.89 20.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.4 mt -49.78 -26.22 3.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -82.43 103.36 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -52.35 -36.4 53.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -33.85 60.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.84 HG12 HD11 ' A' ' 47' ' ' LEU . 66.0 mt -99.45 135.38 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 141.12 22.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.792 1.282 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -46.24 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -44.67 79.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.2 tp -53.4 140.11 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.96 146.5 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.633 HG12 ' HB2' ' A' ' 79' ' ' GLN . 7.1 t -48.36 -41.08 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -108.11 53.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.4 p -115.46 162.48 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 15.0 t-80 -110.58 147.24 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.741 ' HA ' HD12 ' A' ' 45' ' ' LEU . 60.1 m-85 -86.75 8.64 21.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.54 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 30.3 mtt -140.65 -68.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 2.7 mmtt -40.25 -69.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.83 -76.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' A' ' 41' ' ' PHE . 88.1 mt -40.01 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.71 50.36 1.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 HG12 ' A' ' 30' ' ' ILE . 15.5 mt -97.32 -172.95 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -122.48 158.36 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.9 p -52.5 -43.44 65.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.14 -30.55 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.49 -26.92 25.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.7 tm0? -62.39 -38.39 89.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.54 -32.13 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.2 -53.67 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.742 HD11 HD11 ' A' ' 30' ' ' ILE . 7.9 mt -47.77 -60.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' A' ' 75' ' ' LEU . 16.2 mm -47.17 -63.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -37.52 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -54.84 -43.52 73.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.439 ' HG3' HG21 ' A' ' 81' ' ' ILE . 21.2 mmt -69.82 -47.89 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.556 ' OE2' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -53.65 -25.68 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -31.0 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.523 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 53.1 m-85 -111.66 -28.74 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 56.09 2.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 27.5 m-85 -128.03 -171.7 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -140.5 91.59 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.556 HD12 ' OE2' ' A' ' 60' ' ' GLU . 62.3 mt -92.06 120.28 67.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.817 1.294 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 173.0 11.6 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.389 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -24.53 60.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -24.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.82 -46.19 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -52.99 -29.14 27.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' HE2' ' A' ' 76' ' ' MET . 16.0 pt-20 -76.4 -35.45 58.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -12.53 60.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 28.4 mt -94.36 109.81 21.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.41 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 10.5 mmt -130.04 14.03 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.9 158.6 31.75 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 122.763 1.268 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.629 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.2 Cg_endo -69.8 -38.24 7.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.633 ' HB2' HG12 ' A' ' 37' ' ' VAL . 12.8 tp60 -63.96 -33.77 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.418 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.0 mt-10 -63.22 -27.57 69.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 78' ' ' PRO . 15.4 mt -80.81 -49.5 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.589 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.2 t -44.93 -40.8 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.01 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.511 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.1 t80 -64.32 -36.57 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.738 ' HB ' HG21 ' A' ' 16' ' ' ILE . 19.5 mm -74.13 -55.18 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.455 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -49.91 -33.93 18.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.49 -38.58 91.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 89' ' ' LYS . 5.5 mmtt -72.49 -27.74 62.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.546 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 27.07 47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.7 OUTLIER 65.85 96.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 91' ' ' VAL . 5.2 p -109.55 39.27 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -82.93 47.45 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -143.79 101.65 3.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.5 m -142.74 96.37 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 110.052 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -125.59 -164.75 11.9 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 122.76 1.2 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 73.2 1.42 Allowed 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 89.5 p -84.66 128.92 34.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.022 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.85 83.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.069 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -175.47 164.67 3.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.953 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -142.07 152.41 43.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.956 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.94 -139.1 5.66 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.05 112.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -149.73 164.6 34.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . -137.14 -115.9 1.45 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.513 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 165.95 -54.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.777 1.275 . . . . 0.0 111.038 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 64.6 Cg_exo -47.95 168.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.95 179.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.72 120.26 40.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.9 p -123.87 176.32 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.354 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.537 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -44.34 -60.27 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.41 -42.26 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.74 -44.36 32.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.66 HG21 ' HB ' ' A' ' 85' ' ' ILE . 19.8 mt -57.68 -53.67 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -51.64 -65.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -43.67 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.431 ' NH1' ' OE2' ' A' ' 62' ' ' GLU . 23.6 mmt85 -66.33 -47.3 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.735 HG21 ' CG2' ' A' ' 82' ' ' VAL . 20.7 t -48.08 -38.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -78.95 -46.95 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -51.08 -55.71 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.669 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 45.1 t -58.06 -49.44 81.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.833 ' CB ' HD11 ' A' ' 35' ' ' LEU . 49.5 mt -57.05 -40.61 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG3' HD13 ' A' ' 35' ' ' LEU . 9.8 mttt -62.05 -51.38 68.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.1 mt -42.59 -37.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.536 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 4.5 t80 -73.76 99.21 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.94 -40.5 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.23 -37.73 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 55' ' ' ILE . 43.8 mt -94.79 107.54 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.43 140.23 78.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.829 1.3 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.89 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -28.66 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -96.82 -44.11 7.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -40.72 117.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.423 1.077 . . . . 0.0 109.384 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.95 148.12 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.644 HG12 ' HB2' ' A' ' 79' ' ' GLN . 10.5 t -42.98 -42.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -108.34 48.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.577 ' HB2' HD11 ' A' ' 45' ' ' LEU . 98.7 p -108.5 114.78 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 18.3 t-80 -73.2 137.58 45.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 21.4 m-85 -87.23 15.62 6.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.473 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -138.72 -45.79 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -75.65 -70.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 3.8 t0 -66.95 -89.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 39' ' ' SER . 4.4 mp -38.83 -65.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.98 64.04 1.19 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.765 HD11 HG12 ' A' ' 30' ' ' ILE . 16.1 mt -105.81 179.0 4.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.04 176.67 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -66.7 -45.54 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.635 ' O ' HG12 ' A' ' 53' ' ' VAL . 1.8 mt -52.93 -26.11 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.423 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -83.2 -24.49 32.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.391 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 35.3 tp60 -74.78 -38.12 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 50' ' ' LEU . 7.6 p -65.15 -30.06 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -55.84 4.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 30' ' ' ILE . 7.2 mt -43.08 -50.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.539 HG13 ' HB1' ' A' ' 72' ' ' ALA . 24.5 mm -55.56 -56.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 mmt -46.17 -37.79 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.669 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -61.2 -42.47 98.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.6 mmt -76.44 -23.45 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -74.62 -21.05 59.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -94.6 -50.87 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -56.91 -34.69 68.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.561 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 19.7 m-85 -106.06 -5.54 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.57 50.48 48.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 63' ' ' PHE . 9.5 m-85 -113.59 -177.84 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -134.09 83.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 84' ' ' TYR . 10.5 mt -88.67 121.55 69.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 122.818 1.294 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.92 10.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.38 58.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.14 -25.72 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' A' ' 67' ' ' ILE . 1.7 t70 -97.43 -50.14 4.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -49.45 -34.44 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.65 -29.37 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -81.76 -17.48 47.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.461 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.8 mt -89.53 116.86 28.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 10.1 mmt -134.62 15.41 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.22 158.97 31.76 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.809 1.29 . . . . 0.0 108.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.9 Cg_endo -69.66 -41.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.415 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.644 ' HB2' HG12 ' A' ' 37' ' ' VAL . 33.8 tp60 -59.89 -36.96 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.452 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -59.7 -43.21 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 78' ' ' PRO . 7.1 mt -63.15 -54.33 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.735 ' CG2' HG21 ' A' ' 20' ' ' VAL . 86.4 t -42.98 -44.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -55.57 -44.33 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 67' ' ' ILE . 34.4 t80 -65.49 -34.64 78.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.66 ' HB ' HG21 ' A' ' 16' ' ' ILE . 17.0 mm -74.56 -63.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 89' ' ' LYS . . . -41.73 -47.62 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -44.52 -51.15 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -55.59 -39.89 71.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER 40.06 38.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.4 OUTLIER 69.73 116.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 92' ' ' TYR . 3.8 p -93.26 15.8 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 90' ' ' ASP . 8.2 m-85 30.99 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.64 140.06 11.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.4 m -67.25 114.16 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.98 154.97 21.78 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 122.803 1.224 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -29.84 23.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.411 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 m -128.69 131.17 47.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 t -141.11 -58.58 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -92.91 90.66 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.51 122.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.73 -166.31 27.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -160.3 171.87 18.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.761 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.92 172.39 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.99 80.64 1.51 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.494 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -46.89 -53.33 27.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.748 1.261 . . . . 0.0 110.984 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 61.6 Cg_exo -47.82 158.23 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.639 2.226 . . . . 0.0 112.4 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -48.02 178.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.374 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mp -111.65 134.2 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.4 p -89.71 -179.18 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.389 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -50.02 -50.31 47.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -41.87 7.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.35 -40.16 34.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.1 mt -56.1 -55.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.736 . . . . 0.0 109.247 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.03 -64.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -41.92 -41.59 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.6 -49.13 64.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.725 HG21 ' CG2' ' A' ' 82' ' ' VAL . 3.7 t -47.21 -45.75 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.66 HD23 HG12 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -72.08 -55.49 7.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -42.06 -55.55 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.67 ' HA ' HD12 ' A' ' 26' ' ' LEU . 15.6 t -55.68 -45.31 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 55' ' ' ILE . 77.6 mt -62.49 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HG3' HD13 ' A' ' 35' ' ' LEU . 15.8 mttt -55.55 -45.87 77.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 23' ' ' VAL . 30.8 mt -46.97 -29.72 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.32 100.53 8.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -47.12 -39.13 12.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -52.22 -36.87 53.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 24' ' ' LEU . 71.6 mt -94.91 113.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.74 139.21 58.09 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 122.76 1.267 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.55 2.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -16.61 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -107.24 -41.58 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.4 tt -40.28 141.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.621 ' H ' HD23 ' A' ' 35' ' ' LEU . 1.4 p -169.2 141.94 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.648 HG22 ' HB2' ' A' ' 79' ' ' GLN . 3.7 p -51.16 -20.28 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 39' ' ' SER . 56.6 m-20 -95.9 -44.05 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -33.19 147.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 0.9 OUTLIER -112.24 137.7 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.775 ' HA ' HD12 ' A' ' 45' ' ' LEU . 6.2 m-30 -61.04 -12.99 13.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 2.0 mtt -126.49 -62.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 4.4 tttt -36.07 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.23 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -77.21 -75.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 41' ' ' PHE . 84.7 mt -38.52 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.44 57.46 1.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.542 HD13 HD11 ' A' ' 55' ' ' ILE . 6.8 mt -101.51 163.97 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -89.11 148.8 23.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -45.88 -44.63 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.68 -37.96 19.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.1 -25.82 31.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.6 tm0? -63.77 -41.23 98.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.55 -41.1 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -51.99 65.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.735 HG23 HD21 ' A' ' 24' ' ' LEU . 8.9 mt -45.7 -53.19 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.706 HG21 ' CB ' ' A' ' 72' ' ' ALA . 42.2 mm -57.57 -55.94 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mtt -41.62 -43.54 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -55.55 -49.42 72.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.36 -36.17 83.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.626 ' HG2' HD12 ' A' ' 67' ' ' ILE . 52.0 mt-10 -60.32 -34.7 74.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 110.339 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.68 -35.99 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.57 ' HG3' HG21 ' A' ' 23' ' ' VAL . 1.3 tm-20 -53.55 -34.24 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.755 ' CD2' HD12 ' A' ' 85' ' ' ILE . 91.5 m-85 -115.94 -29.2 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 84.77 56.2 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 63' ' ' PHE . 18.0 m-30 -114.38 -5.21 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.6 mt-10 37.56 36.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.626 HD12 ' HG2' ' A' ' 60' ' ' GLU . 4.6 mt -39.63 136.0 1.19 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.739 1.257 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.7 -179.07 2.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.38 -24.71 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -64.22 -25.37 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' LYS . 3.0 m-20 -99.97 -52.65 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.706 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -47.61 -29.09 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -35.23 44.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -70.08 -15.87 63.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.55 HD13 HG12 ' A' ' 81' ' ' ILE . 25.8 mt -90.2 134.91 33.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 15.7 mmt -129.64 -41.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.507 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -108.04 168.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.845 1.307 . . . . 0.0 108.321 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.8 Cg_endo -69.68 -30.62 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.648 ' HB2' HG22 ' A' ' 37' ' ' VAL . 61.6 tp60 -71.42 -33.28 69.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.216 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.494 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -56.02 -43.16 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.55 HG12 HD13 ' A' ' 75' ' ' LEU . 4.6 mt -64.17 -52.82 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.382 1.051 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.725 ' CG2' HG21 ' A' ' 20' ' ' VAL . 97.5 t -42.6 -46.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.97 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE1' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -68.39 -34.54 76.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.755 HD12 ' CD2' ' A' ' 63' ' ' PHE . 11.5 mm -68.02 -63.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -42.76 -34.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.12 -48.9 79.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' ILE . 15.5 mmtt -56.37 -37.2 69.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -57.06 -47.82 80.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -124.52 100.67 6.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.9 p -117.06 37.56 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.48 36.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -139.53 141.51 37.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.384 1.052 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -68.27 -54.91 14.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.55 149.92 7.4 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 122.739 1.188 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 79.02 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.7 t -110.59 141.38 43.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.037 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 -60.26 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.71 99.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -172.61 80.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.012 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.27 124.25 4.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.21 143.75 12.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.46 141.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.963 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.8 -72.64 0.47 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mmt 38.21 66.99 2.28 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 122.841 1.305 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -48.02 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.01 -179.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.27 119.22 38.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.37 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -144.4 165.31 28.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -47.03 -46.03 21.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -43.36 -29.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.32 -42.88 17.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 HD22 ' A' ' 13' ' ' LEU . 44.1 mt -57.51 -56.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -52.9 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -47.37 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.1 mmt-85 -60.22 -52.43 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.618 HG12 HD23 ' A' ' 21' ' ' LEU . 15.5 t -47.48 -57.05 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.966 ' HB3' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -62.47 -51.6 66.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.612 1.195 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -48.15 -48.7 34.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 40.6 t -64.53 -41.48 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.614 HD22 HD13 ' A' ' 30' ' ' ILE . 39.3 mt -64.17 -34.31 77.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HE3' HD23 ' A' ' 35' ' ' LEU . 4.2 mttp -64.42 -47.99 77.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.1 mt -47.51 -28.22 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 3.0 t80 -83.29 101.42 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.18 -38.66 12.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 55' ' ' ILE . 38.3 mt -97.66 133.35 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -98.14 142.01 23.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.737 1.256 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -46.0 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.389 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -42.0 99.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -77.21 -31.4 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.966 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.2 tp -55.09 137.64 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.96 135.9 11.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.2 p -47.45 -26.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -122.85 53.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.99 132.43 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 43.7 t-80 -76.36 151.3 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.877 ' HA ' HD12 ' A' ' 45' ' ' LEU . 34.3 m-85 -87.66 2.24 51.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.438 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 54.8 mtt -139.67 -51.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.39 -59.68 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.9 -66.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 41' ' ' PHE . 90.9 mt -41.35 -83.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.42 54.58 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.417 1.073 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -102.82 171.39 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.598 0.822 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' OD2' ' A' ' 51' ' ' ASP . 15.3 t70 -102.86 166.63 10.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 p -48.34 -38.49 19.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' HA ' HG12 ' A' ' 53' ' ' VAL . 7.1 mt -54.66 -18.67 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.921 ' OD1' HD12 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -78.23 -36.46 47.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' CG1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.87 -47.49 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 57' ' ' MET . 7.9 p -60.2 -35.24 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.83 -51.26 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.921 HD12 ' OD1' ' A' ' 51' ' ' ASP . 24.7 mt -48.75 -52.95 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' OE1' ' A' ' 52' ' ' GLN . 25.1 mm -63.66 -51.8 65.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 2.8 mmt -50.75 -22.81 2.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.645 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -76.23 -44.81 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.578 ' HG3' HG21 ' A' ' 81' ' ' ILE . 16.4 mmt -69.09 -24.38 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.48 -20.53 60.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.87 -45.52 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -43.17 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.447 ' CD2' HD12 ' A' ' 85' ' ' ILE . 75.1 m-85 -112.55 15.56 20.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 59.98 1.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -110.98 -176.93 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.01 77.62 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.561 HG12 ' CE1' ' A' ' 84' ' ' TYR . 4.9 mt -93.06 125.71 53.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.821 1.296 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 166.78 26.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.28 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -66.17 -24.35 66.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.63 -26.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 70' ' ' ILE . 89.1 m-20 -99.99 -18.75 16.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -86.6 -50.6 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' CE ' ' A' ' 76' ' ' MET . 7.2 pt-20 -57.95 -19.25 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.56 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.725 HD23 ' HB3' ' A' ' 80' ' ' GLU . 35.2 mt -82.42 122.7 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 15.5 mmt -134.9 8.28 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -150.0 164.36 21.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.752 1.263 . . . . 0.0 108.357 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.646 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.7 Cg_endo -69.78 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.476 ' HB2' HG22 ' A' ' 37' ' ' VAL . 1.7 tp60 -58.79 -37.97 77.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.725 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -55.03 -24.0 22.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 78' ' ' PRO . 9.7 mt -85.43 -47.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 16' ' ' ILE . 83.1 t -46.83 -48.71 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.62 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.561 ' CE1' HG12 ' A' ' 67' ' ' ILE . 6.2 t80 -67.74 -36.48 80.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.447 HD12 ' CD2' ' A' ' 63' ' ' PHE . 2.8 mm -73.89 -58.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -39.6 -53.01 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -57.54 -54.11 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -54.18 -20.67 7.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -91.35 -39.38 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.11 -178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 91' ' ' VAL . 4.0 p -108.11 37.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -128.76 -92.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.34 108.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.357 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.34 -60.95 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.975 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 139.65 155.01 6.47 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 122.792 1.218 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.55 108.81 11.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.963 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 m -142.24 82.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 p -178.47 109.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 0.773 . . . . 0.0 109.972 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.66 107.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.27 -147.67 7.24 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m 179.36 -68.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 0.0 109.998 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.15 125.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 110.07 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.73 62.18 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.499 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.69 -53.54 7.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.808 1.29 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 64.7 Cg_exo -48.01 160.83 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.9 167.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.662 2.241 . . . . 0.0 112.301 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' N ' HD23 ' A' ' 11' ' ' LEU . 4.0 mt -87.95 95.55 10.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.4 p -123.36 169.39 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.526 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -41.01 -56.62 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.52 -46.53 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.86 -38.68 48.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.678 HG21 ' HB ' ' A' ' 85' ' ' ILE . 72.0 mt -58.21 -54.17 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -54.22 -65.48 0.56 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -41.16 -45.5 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.65 -47.33 85.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG21 HG22 ' A' ' 82' ' ' VAL . 23.6 t -52.15 -39.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -78.49 -41.58 32.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -58.7 -51.34 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.756 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 46.3 t -62.97 -44.27 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.776 ' CB ' HD11 ' A' ' 35' ' ' LEU . 63.0 mt -62.97 -29.2 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.223 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -43.57 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.6 mt -45.56 -36.37 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.519 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.1 t80 -73.9 99.5 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -47.38 -38.32 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 6.5 mttt -53.29 -37.02 61.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.676 HD11 HD11 ' A' ' 55' ' ' ILE . 11.6 mt -91.58 106.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.85 136.21 92.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.827 1.299 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.288 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -18.57 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.236 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -101.71 -40.47 6.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.776 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -43.8 117.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -155.39 135.8 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.6 m -40.93 -40.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -95.62 49.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 59.7 m -136.9 124.38 22.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.435 ' CG ' ' H ' ' A' ' 41' ' ' PHE . 16.8 t-80 -67.72 -170.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' HA ' HD12 ' A' ' 45' ' ' LEU . 22.9 m-85 -124.62 -34.52 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.38 -25.63 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.81 -78.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.21 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.53 -78.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 41' ' ' PHE . 38.8 mt -41.46 -67.59 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.54 43.25 2.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD11 ' CG1' ' A' ' 30' ' ' ILE . 8.3 mt -86.97 168.37 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.96 171.5 9.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 m -67.4 -46.37 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.86 ' O ' HG12 ' A' ' 53' ' ' VAL . 3.0 mt -52.42 -27.72 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -81.41 -25.07 36.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 7.5 tm0? -73.18 -27.31 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 50' ' ' LEU . 9.3 p -77.4 -27.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -49.26 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.676 HD11 HD11 ' A' ' 30' ' ' ILE . 12.8 mt -47.59 -53.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.0 mm -49.98 -61.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mmt -44.2 -45.89 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.756 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -46.45 -41.66 14.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.1 mmt -70.92 -49.76 42.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.486 ' CD ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -56.24 -24.42 42.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -89.51 -39.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 8.5 tm-20 -70.75 -24.59 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.187 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.559 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 57.2 m-85 -111.57 -30.01 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 87.29 32.08 14.93 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.632 ' HE2' HG23 ' A' ' 85' ' ' ILE . 19.1 m-85 -100.17 -173.53 2.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -142.3 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 84' ' ' TYR . 47.3 mt -93.85 116.7 66.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.859 1.314 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.75 159.53 53.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.35 -24.61 56.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.062 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.14 -25.29 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.387 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 70' ' ' ILE . 80.9 m-20 -101.15 -31.83 10.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -67.93 -31.06 70.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -72.39 -33.27 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -11.53 60.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 72' ' ' ALA . 16.5 mt -98.51 119.26 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.8 mmt -130.6 4.84 4.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -149.16 164.75 19.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 122.82 1.295 . . . . 0.0 108.265 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.556 ' HD3' ' CZ ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.85 -50.18 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -56.61 -43.62 80.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -31.29 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' TYR . 21.9 mt -77.96 -49.59 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.715 HG22 HG21 ' A' ' 20' ' ' VAL . 85.8 t -44.82 -40.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -43.27 94.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' HG12 ' A' ' 67' ' ' ILE . 28.3 t80 -63.83 -29.07 70.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.678 ' HB ' HG21 ' A' ' 16' ' ' ILE . 9.6 mm -80.62 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.526 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.13 -47.36 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -57.45 -50.21 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -51.62 -37.5 50.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.14 79.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.6 134.19 7.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -91.9 30.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -84.92 44.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -168.76 150.83 4.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.1 p -154.8 129.01 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.083 . . . . 0.0 110.016 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 133.11 155.93 7.94 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 122.725 1.181 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 106.62 1.68 Allowed 'Trans proline' 0 N--CA 1.466 -0.099 0 C-N-CA 122.763 2.308 . . . . 0.0 112.309 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.3 p 47.44 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m 43.21 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.79 HD22 HD12 ' A' ' 16' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.85 -22.75 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.34 -36.87 8.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.79 HD12 HD22 ' A' ' 13' ' ' LEU . 88.9 mt -59.84 -59.04 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.725 . . . . 0.0 109.37 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' VAL . 9.8 tt0 -52.87 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -40.41 -45.6 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -63.51 -44.87 93.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CG2' ' A' ' 82' ' ' VAL . 20.7 t -54.32 -41.13 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -78.76 -50.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -48.31 -49.61 33.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.585 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 25.4 t -61.78 -44.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.603 HD21 HG23 ' A' ' 55' ' ' ILE . 58.0 mt -64.62 -31.5 72.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' LEU . 16.1 mttt -69.14 -47.65 64.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.2 mt -45.18 -26.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -84.11 98.94 10.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -49.43 -39.48 33.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.56 -36.12 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.857 HD11 HD11 ' A' ' 55' ' ' ILE . 49.9 mt -97.08 119.27 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.99 140.5 50.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.739 1.256 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 35' ' ' LEU . 53.2 Cg_endo -69.83 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.58 2.187 . . . . 0.0 112.357 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -51.78 55.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.285 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -68.25 -44.35 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.76 141.93 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.375 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.7 m -165.05 143.17 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.694 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.1 p -45.85 -28.77 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.95 55.88 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.71 118.44 21.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 27.6 t-80 -59.96 175.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.542 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.531 ' HA ' HD12 ' A' ' 45' ' ' LEU . 16.8 m-85 -116.13 -25.4 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.8 mtt -114.81 -24.59 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 2.7 mtpt -87.87 -29.46 20.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.175 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.68 -72.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 41' ' ' PHE . 41.0 mt -55.38 -53.05 61.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 86.19 42.32 6.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 30' ' ' ILE . 13.4 mt -85.07 -177.53 6.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -114.86 161.09 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -50.66 -42.13 56.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.82 -26.12 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -89.08 -28.16 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 34.6 tp60 -66.41 -43.3 86.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.0 -37.42 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.857 HD11 HD11 ' A' ' 30' ' ' ILE . 6.2 mt -42.01 -51.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.785 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.1 mm -57.77 -60.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -29.83 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -63.84 -42.83 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.1 mmt -73.18 -34.06 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.785 ' OE2' HG22 ' A' ' 56' ' ' ILE . 37.0 mt-10 -64.09 -25.56 68.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -94.31 -51.48 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 3.1 tp10 -52.09 -27.35 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 85' ' ' ILE . 36.8 m-85 -112.93 -27.12 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 79.07 69.67 1.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 18.8 m-85 -138.06 -175.23 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 0.726 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 66' ' ' GLU . 2.5 pt-20 -133.41 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.639 HD12 ' HG3' ' A' ' 60' ' ' GLU . 10.7 mt -92.48 116.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.863 1.316 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.82 159.19 54.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -24.82 63.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.4 -25.63 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.455 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -96.85 -52.45 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.519 ' HB2' HG21 ' A' ' 56' ' ' ILE . . . -48.91 -31.33 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.237 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' HE2' ' A' ' 76' ' ' MET . 11.6 pt-20 -75.33 -31.87 60.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.5 -14.19 59.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 22.7 mt -94.53 115.14 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.459 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 10.5 mmt -128.6 14.46 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -155.57 159.25 31.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.825 1.298 . . . . 0.0 108.27 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.518 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.6 Cg_endo -69.77 -36.21 11.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.694 ' HB2' HG22 ' A' ' 37' ' ' VAL . 61.1 tp60 -66.83 -32.43 73.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.03 -29.83 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 78' ' ' PRO . 10.8 mt -78.65 -49.96 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.553 ' CG2' HG21 ' A' ' 20' ' ' VAL . 98.1 t -43.51 -43.89 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.74 93.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.525 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.3 t80 -64.59 -32.43 74.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.691 HD12 ' CD2' ' A' ' 63' ' ' PHE . 7.7 mm -78.27 -58.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.53 -53.24 48.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 7.7 mmtt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.03 -44.87 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.56 35.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.664 HG21 ' HB ' ' A' ' 85' ' ' ILE . 77.5 mt -57.57 -53.81 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -53.79 -65.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.35 -41.81 4.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.669 HG21 ' CG2' ' A' ' 82' ' ' VAL . 11.1 t -51.65 -49.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -57.26 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -42.92 -46.12 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.626 HG21 ' HG2' ' A' ' 62' ' ' GLU . 6.1 t -66.17 -48.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.722 HD21 HG23 ' A' ' 55' ' ' ILE . 35.7 mt -57.97 -43.18 86.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' ' 27' ' ' TYR . 11.6 mttt -50.57 -47.46 57.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 23' ' ' VAL . 41.5 mt -40.18 -29.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 1.8 t80 -81.72 100.04 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.48 -38.41 43.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -52.27 -33.76 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.009 HD11 HD11 ' A' ' 55' ' ' ILE . 43.8 mt -97.5 131.26 44.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.05 139.11 21.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.837 1.304 . . . . 0.0 109.267 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -45.75 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -23.13 62.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 12.4 mtpp -93.8 -51.13 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 36' ' ' SER . 4.3 tt -39.42 149.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.704 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -158.78 129.46 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.054 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 79' ' ' GLN . 8.3 p -39.7 -30.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 36' ' ' SER . 8.4 t-20 -121.64 61.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.36 134.03 45.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 76' ' ' MET . 28.8 t-80 -80.0 141.6 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.546 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.732 ' HA ' HD12 ' A' ' 45' ' ' LEU . 72.0 m-85 -80.51 -10.65 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.2 mtt -127.08 -40.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -91.78 23.93 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -156.81 -68.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 41' ' ' PHE . 32.4 mt -65.83 -67.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.01 32.85 1.46 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.181 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.66 HD13 ' OD2' ' A' ' 51' ' ' ASP . 5.2 mt -88.66 165.59 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -97.14 176.91 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.8 m -59.74 -42.36 93.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -47.38 -37.46 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.66 ' OD2' HD13 ' A' ' 47' ' ' LEU . 7.5 t70 -73.15 -33.86 65.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.0 tm0? -61.03 -43.12 99.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.41 -47.96 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.32 -54.59 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 1.009 HD11 HD11 ' A' ' 30' ' ' ILE . 15.4 mt -51.03 -51.54 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.35 -63.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' GLU . 9.8 mtt -40.89 -50.53 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.82 -47.59 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.6 mmt -68.35 -33.78 74.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' MET . 39.3 mt-10 -65.83 -21.0 66.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -100.98 -50.38 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.626 ' HG2' HG21 ' A' ' 23' ' ' VAL . 15.2 tp10 -51.91 -35.68 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CD2' HD12 ' A' ' 85' ' ' ILE . 32.5 m-85 -107.67 -20.5 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.59 59.35 3.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 22.4 m-85 -128.38 167.11 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.68 85.11 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.524 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 22.0 mt -88.79 126.35 59.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.75 1.262 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -179.54 2.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -24.69 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -66.12 -24.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -97.84 -52.23 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -49.53 -27.14 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -80.13 -32.23 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -80.83 -18.27 47.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 32.6 mt -88.15 116.11 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.559 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 10.3 mmt -134.42 14.89 3.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.26 158.23 31.45 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.771 1.272 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.556 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.0 Cg_endo -69.8 -38.46 7.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.607 2.205 . . . . 0.0 112.378 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.749 ' HB2' HG22 ' A' ' 37' ' ' VAL . 33.2 tp60 -62.62 -33.36 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.82 89.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.334 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 78' ' ' PRO . 8.8 mt -68.32 -52.21 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.669 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.0 t -42.63 -47.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -43.52 76.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 8.9 t80 -66.75 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.693 HD12 ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.36 -57.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -39.87 -46.62 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.06 -51.25 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 85' ' ' ILE . 10.8 mmtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -45.62 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -74.91 -33.43 55.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.667 HG21 ' HB ' ' A' ' 85' ' ' ILE . 50.3 mt -65.59 -53.99 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -52.46 -61.29 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -42.26 8.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -66.56 -43.15 85.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.71 HG21 ' CG2' ' A' ' 82' ' ' VAL . 4.6 t -54.41 -50.47 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.703 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.5 -44.8 73.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -55.67 -50.61 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 24.5 t -62.22 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.767 ' CB ' HD11 ' A' ' 35' ' ' LEU . 61.8 mt -61.61 -34.05 74.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HG3' HD13 ' A' ' 35' ' ' LEU . 2.8 mttp -68.52 -40.25 80.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.19 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -50.24 -32.7 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.99 -33.63 57.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 10.5 mttp -58.83 -26.59 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.552 HD13 HD22 ' A' ' 24' ' ' LEU . 77.6 mt -101.9 111.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.06 135.52 70.18 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.811 1.291 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -17.76 8.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -104.93 -41.49 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.767 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.7 tt -42.06 119.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.69 144.02 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.943 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 p -55.41 -22.3 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -126.95 56.48 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.78 145.08 50.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 16.1 t-80 -88.49 144.04 26.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.514 ' CD1' HD12 ' A' ' 45' ' ' LEU . 16.8 m-30 -88.2 -3.12 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mtt -118.61 -35.46 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -86.37 -69.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -83.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.514 HD12 ' CD1' ' A' ' 41' ' ' PHE . 29.2 mt -41.22 -57.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.47 4.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 30' ' ' ILE . 2.2 mt -96.72 -176.12 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' A' ' 50' ' ' LEU . 2.7 m-20 -113.94 171.99 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.97 -46.38 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 0.0 110.074 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.875 ' O ' HG12 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -49.85 -36.21 26.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -77.95 -26.32 48.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' SER . 7.4 tm0? -71.44 -34.93 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.875 HG12 ' O ' ' A' ' 50' ' ' LEU . 7.5 p -68.99 -27.52 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -37.08 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.593 HG23 HD21 ' A' ' 24' ' ' LEU . 31.8 mt -62.02 -51.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.53 -59.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 mmt -43.9 -39.76 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -55.01 -45.36 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.43 ' HG3' HG21 ' A' ' 81' ' ' ILE . 22.4 mmt -70.83 -34.15 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -20.79 65.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.74 -52.95 3.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.525 ' OE1' ' CE1' ' A' ' 63' ' ' PHE . 7.2 tm-20 -53.5 -32.43 50.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.546 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 25.3 m-85 -105.7 -24.57 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 52.7 8.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 15.8 m-85 -121.12 -176.63 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -135.4 86.33 2.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -89.99 125.09 61.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.77 1.272 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.6 16.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.607 2.205 . . . . 0.0 112.322 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.11 -24.52 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.33 -25.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' CB ' HG23 ' A' ' 67' ' ' ILE . 0.8 OUTLIER -94.76 -50.23 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -48.19 -32.56 7.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.35 -32.2 54.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -80.62 -11.73 59.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.1 mt -94.58 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 11.6 mmt -131.93 17.06 4.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.51 159.62 30.67 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 122.84 1.305 . . . . 0.0 108.174 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.463 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.77 -42.27 3.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.621 2.214 . . . . 0.0 112.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -61.27 -35.8 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.9 -43.48 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' TYR . 16.0 mt -63.18 -54.54 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.065 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.71 ' CG2' HG21 ' A' ' 20' ' ' VAL . 94.7 t -42.83 -44.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.15 -45.55 72.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.522 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.1 t80 -65.36 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.667 ' HB ' HG21 ' A' ' 16' ' ' ILE . 17.4 mm -75.18 -62.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.532 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.54 -41.58 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.67 65.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ILE . 3.0 mmtp . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.378 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.61 -43.36 25.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.18 -34.31 46.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.724 HG21 ' HB ' ' A' ' 85' ' ' ILE . 65.2 mt -63.99 -54.59 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.29 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -45.38 -46.3 13.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -60.8 -47.93 84.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.684 HG12 HD23 ' A' ' 21' ' ' LEU . 13.0 t -50.64 -54.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.74 -52.78 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -48.06 -53.68 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.977 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 35.9 t -57.42 -41.97 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.891 HD21 HG23 ' A' ' 55' ' ' ILE . 72.2 mt -65.31 -42.32 93.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' TYR . 29.1 mttt -57.53 -43.75 84.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 23' ' ' VAL . 87.9 mt -44.39 -27.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.7 t80 -86.34 101.1 12.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.72 -39.1 50.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -50.85 -28.62 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.888 HG12 HD11 ' A' ' 47' ' ' LEU . 56.2 mt -103.6 127.37 57.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.89 135.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.828 1.299 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.69 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -29.97 11.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . 16.4 mttm -91.92 -51.65 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.842 HD23 ' N ' ' A' ' 36' ' ' SER . 4.5 tt -40.31 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.842 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -163.8 129.5 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 79' ' ' GLN . 8.4 p -39.95 -30.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' SER . 41.9 m-20 -120.62 60.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -139.49 141.64 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.446 ' ND1' ' N ' ' A' ' 42' ' ' MET . 62.2 t-80 -75.59 173.98 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.879 ' HA ' HD12 ' A' ' 45' ' ' LEU . 69.1 m-85 -103.79 10.36 36.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.446 ' N ' ' ND1' ' A' ' 40' ' ' HIS . 62.2 mtt -144.65 -44.81 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -52.47 -49.76 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 3.8 t70 -108.51 -65.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 41' ' ' PHE . 88.6 mt -42.37 -77.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.73 57.08 0.7 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.888 HD11 HG12 ' A' ' 30' ' ' ILE . 20.4 mt -109.04 -171.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.7 165.57 20.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 p -53.84 -39.7 65.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.072 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.09 -28.42 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.664 ' OD2' HD22 ' A' ' 47' ' ' LEU . 3.3 m-20 -87.67 -24.74 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.172 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 35.4 tp60 -64.81 -35.68 81.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.35 -32.51 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -56.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.891 HG23 HD21 ' A' ' 24' ' ' LEU . 5.8 mt -44.46 -54.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.422 HG13 ' HB1' ' A' ' 72' ' ' ALA . 25.3 mm -56.11 -54.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.9 mmm -49.07 -27.47 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.977 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -66.99 -40.75 87.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.408 ' HG3' HG21 ' A' ' 81' ' ' ILE . 14.2 mmt -79.95 -22.06 43.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.82 -20.55 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -96.82 -44.78 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.36 -43.85 96.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 16' ' ' ILE . 68.1 m-85 -103.69 11.06 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.9 58.5 1.51 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.4 m-85 -116.18 -175.37 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -138.36 84.48 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.519 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 7.9 mt -89.52 121.52 69.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.836 1.303 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 162.45 41.99 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -24.69 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.3 -25.15 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -96.48 -51.54 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -47.08 -32.81 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' ' HE2' ' A' ' 76' ' ' MET . 21.5 pt-20 -75.44 -35.14 60.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -76.42 -17.8 59.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 34.8 mt -90.0 114.71 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.457 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 6.3 mmt -132.49 19.67 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.27 159.17 18.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.764 1.269 . . . . 0.0 108.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.5 Cg_endo -69.8 -40.74 4.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.469 ' HB2' HG22 ' A' ' 37' ' ' VAL . 5.0 tp60 -60.01 -38.96 84.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 78' ' ' PRO . 22.3 mt -72.94 -51.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.674 ' CG2' HG21 ' A' ' 20' ' ' VAL . 93.1 t -44.6 -40.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 31.7 t80 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.724 ' HB ' HG21 ' A' ' 16' ' ' ILE . 19.6 mm -74.58 -61.9 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.516 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.55 -56.76 2.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.72 -55.54 11.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.64 HD11 ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.23 -21.47 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -86.17 -23.96 42.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.699 HG21 ' HB ' ' A' ' 85' ' ' ILE . 40.1 mt -72.23 -56.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -51.87 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.35 -48.11 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -59.88 -51.7 68.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.668 HG12 HD23 ' A' ' 21' ' ' LEU . 4.0 t -46.86 -49.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -70.44 -53.91 14.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -44.43 -52.97 7.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.535 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 50.5 t -58.63 -44.05 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CB ' HD11 ' A' ' 35' ' ' LEU . 49.1 mt -62.52 -42.79 99.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 27' ' ' TYR . 7.2 mttp -58.2 -45.44 87.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.221 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -45.21 -26.57 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HB3' HD12 ' A' ' 30' ' ' ILE . 2.2 t80 -86.37 97.52 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.52 -50.73 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -40.51 -39.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.528 HD11 HD11 ' A' ' 55' ' ' ILE . 14.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.34 136.97 19.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.758 1.266 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.62 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -16.21 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.2 mttt -100.86 -49.76 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.927 HD23 ' N ' ' A' ' 36' ' ' SER . 5.3 tt -39.51 152.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.927 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -165.59 129.72 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.2 p -40.36 -29.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 36' ' ' SER . 9.5 t-20 -118.98 58.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.24 121.65 20.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 38.2 t-80 -66.88 151.17 48.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.85 ' HA ' HD12 ' A' ' 45' ' ' LEU . 87.7 m-85 -87.65 3.01 49.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.42 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 36.7 mtt -138.61 -44.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.77 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.04 -71.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' A' ' 41' ' ' PHE . 54.5 mt -54.56 -68.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.69 45.01 1.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.414 HD11 ' CG1' ' A' ' 30' ' ' ILE . 11.6 mt -94.2 176.99 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.01 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -63.43 -50.49 69.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' O ' HG12 ' A' ' 53' ' ' VAL . 11.9 mt -51.87 -23.62 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.3 m-20 -89.06 -26.84 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' SER . 15.2 tm0? -79.26 -30.05 42.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 50' ' ' LEU . 8.9 p -73.71 -40.67 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -49.78 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 51' ' ' ASP . 8.3 mt -47.73 -56.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.448 HG21 ' HB2' ' A' ' 72' ' ' ALA . 5.3 mm -51.7 -54.59 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.37 -32.52 11.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -63.3 -40.94 98.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.17 -28.61 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.29 -23.72 63.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.66 -49.29 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 12.2 tm-20 -52.09 -27.46 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.658 ' CD2' HD12 ' A' ' 85' ' ' ILE . 31.3 m-85 -114.65 -27.51 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.91 61.77 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 17.0 m-85 -126.84 -174.74 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -133.31 84.9 2.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 30.3 mt -94.49 114.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.791 1.282 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.2 Cg_endo -69.77 163.78 37.0 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.94 -25.43 68.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -96.16 -54.67 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB2' HG21 ' A' ' 56' ' ' ILE . . . -46.45 -37.21 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.86 -36.63 83.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.63 -12.23 60.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.372 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -98.09 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.417 ' HB3' ' NE2' ' A' ' 40' ' ' HIS . 9.5 mmt -132.65 18.32 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.72 159.43 31.33 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.756 1.265 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.5 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.5 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HB2' HG22 ' A' ' 37' ' ' VAL . 2.0 tm0? -54.9 -37.12 65.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.19 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 78' ' ' PRO . 10.6 mt -63.22 -53.57 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.59 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.7 t -42.52 -45.76 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.91 -43.93 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.4 t80 -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.699 ' HB ' HG21 ' A' ' 16' ' ' ILE . 6.6 mm -80.73 -62.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.64 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -40.14 -37.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.63 -50.55 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 7.0 mmtt . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 86' ' ' ALA . 1.1 mm? . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -42.56 -35.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.69 -41.5 74.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.619 HD12 HD13 ' A' ' 13' ' ' LEU . 74.5 mt -57.19 -52.81 51.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.579 0.811 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 20' ' ' VAL . 6.5 tt0 -54.42 -66.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.69 -44.08 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -63.09 -47.88 80.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.703 HG12 HD23 ' A' ' 21' ' ' LEU . 4.2 t -51.22 -46.77 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.703 HD23 HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -73.34 -51.32 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -47.95 -48.88 31.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.857 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 41.5 t -63.22 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.719 HD21 HG23 ' A' ' 55' ' ' ILE . 75.5 mt -65.69 -30.4 71.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 5.1 mttt -65.29 -42.14 93.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt -47.92 -30.1 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.1 t80 -80.84 98.9 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.01 -44.41 9.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -47.35 -37.29 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.45 HD11 HD11 ' A' ' 55' ' ' ILE . 33.2 mt -92.99 109.08 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.24 138.32 75.27 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 122.838 1.304 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -45.25 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -17.58 49.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.46 -42.11 6.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 24' ' ' LEU . 4.1 tt -40.09 122.35 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -140.49 139.75 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.3 p -50.4 -26.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.05 55.85 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -124.14 139.5 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 15.9 t-80 -89.58 152.0 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.678 ' HA ' HD12 ' A' ' 45' ' ' LEU . 71.2 m-85 -88.21 3.2 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.7 mtt -139.81 -48.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -55.17 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -83.28 -71.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 41' ' ' PHE . 75.0 mt -40.01 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.53 46.37 1.98 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mt -93.23 -170.87 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -114.11 163.09 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.7 OUTLIER -57.48 -42.38 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.876 ' O ' HG12 ' A' ' 53' ' ' VAL . 4.2 mp -52.51 -33.91 47.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 55' ' ' ILE . 6.1 m-20 -74.52 -22.95 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 6.1 tm0? -73.93 -38.98 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 50' ' ' LEU . 9.3 p -65.71 -27.7 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.95 -47.07 12.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.719 HG23 HD21 ' A' ' 24' ' ' LEU . 10.1 mt -51.5 -47.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.62 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.4 mm -61.78 -52.31 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -26.59 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.857 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -68.44 -41.83 79.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.418 ' HG3' HG21 ' A' ' 81' ' ' ILE . 18.7 mmt -77.27 -23.13 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.62 ' OE2' HG22 ' A' ' 56' ' ' ILE . 38.8 mt-10 -76.7 -23.28 53.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -97.21 -48.01 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HG3' HG21 ' A' ' 23' ' ' VAL . 4.0 tm-20 -54.55 -41.86 70.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.439 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 76.6 m-85 -109.77 15.29 22.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 63.56 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 88' ' ' LYS . 4.5 m-85 -122.71 -178.21 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.55 91.92 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -97.85 119.48 62.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.752 1.263 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.13 28.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -24.34 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -70.79 -25.32 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -101.21 -41.87 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.75 -22.79 64.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' HE2' ' A' ' 76' ' ' MET . 22.8 pt-20 -82.16 -33.4 29.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' A' ' 80' ' ' GLU . 17.9 mt -96.85 116.25 28.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.45 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 5.9 mmt -133.12 7.94 4.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.03 161.15 33.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.846 1.307 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.516 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.0 Cg_endo -69.82 -37.88 8.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.742 2.295 . . . . 0.0 112.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HB2' HG22 ' A' ' 37' ' ' VAL . 2.2 tp60 -64.78 -35.14 80.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.489 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -61.15 -32.76 72.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 78' ' ' PRO . 14.8 mt -74.14 -52.04 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.665 ' CG2' HG21 ' A' ' 20' ' ' VAL . 92.5 t -44.75 -40.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.72 -41.53 99.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 13.5 t80 -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 9.6 mm -72.08 -61.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -39.93 -56.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -50.24 53.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.234 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -46.98 -41.5 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.76 -41.27 29.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.585 HG21 ' HB ' ' A' ' 85' ' ' ILE . 33.8 mt -58.16 -56.12 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -51.08 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -43.71 -46.63 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -60.68 -51.99 67.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.758 HG21 ' CG2' ' A' ' 82' ' ' VAL . 17.4 t -44.01 -39.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -76.7 -41.45 45.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.85 -55.26 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.516 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 69.7 t -57.64 -40.87 77.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.703 HD22 HD13 ' A' ' 30' ' ' ILE . 70.9 mt -68.14 -34.9 77.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.4 mttt -64.08 -45.94 86.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.42 -25.56 4.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.5 t80 -82.54 98.79 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.78 -40.64 9.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.591 1.182 . . . . 0.0 109.37 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.06 -37.53 46.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.703 HD13 HD22 ' A' ' 24' ' ' LEU . 29.9 mt -96.21 103.09 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.87 138.84 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.786 1.279 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.77 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.5 -14.66 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -106.69 -39.69 5.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 24' ' ' LEU . 2.0 tt -40.52 122.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.39 143.86 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' CG ' ' A' ' 79' ' ' GLN . 2.6 p -54.31 -20.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -124.96 59.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -123.71 129.98 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 46.3 t-80 -74.79 146.4 42.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.643 ' HE2' HG21 ' A' ' 55' ' ' ILE . 4.2 m-30 -83.81 8.02 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.428 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 29.0 mtt -144.86 -56.91 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -40.63 -62.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 41' ' ' PHE . 82.0 mt -40.56 -56.4 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.45 44.01 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.61 164.15 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -100.34 174.41 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 p -62.28 -50.12 72.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 53' ' ' VAL . 9.2 mt -51.73 -23.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.528 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.1 m-20 -88.95 -26.71 21.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 14.2 tm0? -78.68 -30.38 46.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 50' ' ' LEU . 8.4 p -73.01 -39.24 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -44.87 75.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.643 HG21 ' HE2' ' A' ' 41' ' ' PHE . 13.1 mt -51.66 -54.2 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.447 HG13 ' HB1' ' A' ' 72' ' ' ALA . 14.8 mm -49.89 -62.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.47 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -52.38 -47.17 66.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ILE . 17.4 mmt -67.41 -37.74 83.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -61.96 -19.2 62.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -98.94 -53.21 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -52.81 -37.13 59.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 48.6 m-85 -104.26 -13.05 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.16 52.84 44.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.656 ' HE2' HG23 ' A' ' 85' ' ' ILE . 10.3 m-85 -117.82 178.57 4.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 85.67 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.523 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 5.8 mt -93.22 121.79 64.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.805 1.288 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.66 30.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.743 2.295 . . . . 0.0 112.295 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -24.6 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -68.71 -25.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.481 ' CB ' HG23 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -97.23 -46.95 5.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -53.23 -28.1 25.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.43 ' O ' ' HE2' ' A' ' 76' ' ' MET . 9.4 pt-20 -77.11 -34.53 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -11.13 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 72' ' ' ALA . 17.9 mt -95.36 117.75 30.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.538 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 17.2 mmt -124.63 -38.76 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.433 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -104.83 165.2 13.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 122.755 1.264 . . . . 0.0 108.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.83 -39.04 6.84 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.462 ' CG ' ' CG2' ' A' ' 37' ' ' VAL . 1.1 tm0? -67.06 -28.68 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.37 -50.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.758 ' CG2' HG21 ' A' ' 20' ' ' VAL . 94.4 t -45.16 -43.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.223 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -46.77 65.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.523 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.0 t80 -65.78 -37.6 86.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.656 HG23 ' HE2' ' A' ' 65' ' ' PHE . 31.4 mm -66.19 -61.99 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.525 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -39.3 -57.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -44.59 -53.66 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.703 HD13 HD12 ' A' ' 16' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -50.48 -23.69 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.81 -31.9 22.71 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.703 HD12 HD13 ' A' ' 13' ' ' LEU . 49.0 mt -67.7 -56.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -49.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -41.94 -49.95 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mmt-85 -59.22 -52.78 64.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.697 HG21 ' CG2' ' A' ' 82' ' ' VAL . 24.0 t -43.66 -49.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -73.56 -57.0 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -38.84 -53.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 26' ' ' LEU . 83.8 t -59.22 -51.38 73.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 30' ' ' ILE . 75.1 mt -54.98 -34.2 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -69.01 -42.41 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 23' ' ' VAL . 37.1 mt -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.02 104.36 10.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -52.4 -37.44 56.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 1.3 mtpt -53.44 -32.11 48.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.623 HD13 HD22 ' A' ' 24' ' ' LEU . 59.7 mt -96.25 141.29 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 137.32 19.19 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 122.817 1.294 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.76 72.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -81.36 -43.33 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.835 HD12 ' H ' ' A' ' 36' ' ' SER . 1.4 tp -48.61 154.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.835 ' H ' HD12 ' A' ' 35' ' ' LEU . 2.1 m -174.95 144.74 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 79' ' ' GLN . 4.2 p -47.4 -25.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' SER . 3.0 m-80 -129.88 65.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.11 117.25 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.26 168.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.806 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.7 m-30 -103.09 11.39 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.5 mtt -143.66 -47.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 1.8 pttt -55.26 -50.71 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 22.0 t0 -100.14 -64.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 41' ' ' PHE . 80.5 mt -50.53 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.13 40.13 1.72 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.568 HD11 HG12 ' A' ' 30' ' ' ILE . 4.7 mt -94.03 -170.01 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.72 174.05 9.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 15.5 p -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.4 mt -50.69 -27.06 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.539 ' OD2' HD22 ' A' ' 47' ' ' LEU . 11.7 m-20 -87.67 -27.71 22.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 33.9 tp60 -62.15 -37.4 85.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.77 -37.05 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -49.3 49.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 15.5 mt -52.54 -62.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.509 HG13 ' HB1' ' A' ' 72' ' ' ALA . 10.3 mm -50.64 -57.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 mmt -41.84 -39.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.611 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -59.29 -46.65 87.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.502 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 16.1 mmt -66.46 -34.98 79.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.76 -18.39 59.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -99.45 -52.88 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 2.2 mm-40 -52.52 -31.4 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.563 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 37.3 m-85 -108.15 -22.18 12.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 58.91 5.99 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 88' ' ' LYS . 14.0 m-85 -126.0 -176.11 3.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 0.797 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -132.15 84.71 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' A' ' 71' ' ' ASP . 9.1 mt -92.74 116.92 67.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.844 1.307 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.73 161.65 45.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.39 -24.83 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -68.32 -25.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.532 ' HB3' HG23 ' A' ' 67' ' ' ILE . 1.3 m-20 -96.5 -52.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -49.76 -30.5 9.6 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.612 1.195 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 76' ' ' MET . 18.9 pt-20 -76.4 -29.97 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.29 -14.98 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 22.2 mt -92.38 116.88 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.497 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 25.9 mmt -119.02 -26.55 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.4 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -121.34 163.22 31.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 0.0 108.371 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.422 ' HB2' ' CG1' ' A' ' 20' ' ' VAL . 53.6 Cg_endo -69.82 -39.84 5.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.425 ' HB2' HG22 ' A' ' 37' ' ' VAL . 4.3 tp60 -54.19 -48.86 70.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.437 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -48.8 -41.13 31.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 56.0 mt -64.45 -47.85 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.697 ' CG2' HG21 ' A' ' 20' ' ' VAL . 93.9 t -52.81 -40.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.6 t80 -61.72 -61.18 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.604 ' HB ' HG21 ' A' ' 16' ' ' ILE . 27.4 mm -39.33 -58.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB2' HD21 ' A' ' 13' ' ' LEU . . . -39.75 -55.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mmtt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -51.83 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.04 -37.15 64.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.566 HG21 ' HB ' ' A' ' 85' ' ' ILE . 94.2 mt -57.21 -57.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.5 tt0 -54.5 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -40.02 -46.6 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.213 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -60.2 -48.26 82.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.648 HG21 ' CG2' ' A' ' 82' ' ' VAL . 18.8 t -51.68 -39.19 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 21' ' ' LEU . 1.1 mt -78.67 -48.58 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -52.12 -46.8 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.597 HG21 ' HG2' ' A' ' 62' ' ' GLU . 56.2 t -67.47 -48.29 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.851 ' CB ' HD11 ' A' ' 35' ' ' LEU . 38.8 mt -58.3 -27.21 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 27' ' ' TYR . 5.7 mttt -72.06 -45.92 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 mt -43.5 -27.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.4 t80 -82.77 97.47 8.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 111.06 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -45.66 -42.83 11.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -48.94 -37.85 21.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 55' ' ' ILE . 13.2 mt -92.29 108.2 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.5 138.43 93.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.772 1.273 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.4 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -19.73 57.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -97.62 -42.01 7.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.851 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -43.05 104.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.41 136.54 41.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.465 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 1.1 m -45.44 -40.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -101.95 51.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.47 118.53 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -70.37 146.48 50.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 14.9 m-85 -84.55 -4.71 59.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 -47.63 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -69.91 -60.92 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -85.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -42.11 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.6 57.37 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 30' ' ' ILE . 7.8 mt -100.26 -170.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 0.811 . . . . 0.0 109.363 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -119.32 155.6 31.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -51.5 -45.06 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.43 -33.47 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.63 -26.56 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.4 tm0? -64.71 -46.22 83.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.09 -31.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -51.55 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.736 HG23 HD21 ' A' ' 24' ' ' LEU . 8.8 mt -45.87 -43.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 72' ' ' ALA . 13.0 mm -64.94 -59.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.398 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.9 mtt -40.74 -52.31 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -44.96 -52.53 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.48 -35.2 75.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' OE2' HG22 ' A' ' 56' ' ' ILE . 36.8 mt-10 -66.25 -21.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -99.31 -50.92 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.597 ' HG2' HG21 ' A' ' 23' ' ' VAL . 25.9 tp10 -52.02 -29.26 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.669 ' CD2' HD12 ' A' ' 85' ' ' ILE . 35.1 m-85 -112.4 -25.0 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.99 73.47 1.08 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.0 m-85 -139.96 -177.34 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -134.22 80.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.523 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 9.6 mt -91.08 117.77 68.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.815 1.293 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.69 26.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -24.5 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.372 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 2.1 pt -65.6 -28.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.501 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -97.12 -54.22 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -46.69 -35.7 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -69.06 -36.22 77.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -72.85 -13.5 61.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 72' ' ' ALA . 16.2 mt -94.97 116.42 28.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmt -127.27 5.14 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 161.13 43.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.793 1.282 . . . . 0.0 108.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.76 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.1 Cg_endo -69.77 -50.27 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -54.3 -37.6 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -37.35 69.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 78' ' ' PRO . 7.3 mt -69.31 -51.69 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.648 ' CG2' HG21 ' A' ' 20' ' ' VAL . 76.0 t -43.25 -47.28 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -51.97 -45.09 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.523 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -66.33 -31.43 72.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.669 HD12 ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.74 -59.22 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -44.55 -53.07 7.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -46.85 29.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.54 -29.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -74.82 -61.82 2.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.715 HD12 HD22 ' A' ' 13' ' ' LEU . 15.6 mt -40.47 -54.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 9.7 tt0 -47.86 -65.2 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 8.1 t0 -38.42 -60.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.47 -58.01 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.738 HG21 ' CG2' ' A' ' 82' ' ' VAL . 50.7 t -39.85 -31.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.8 mt -89.88 -52.72 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -46.33 -40.15 11.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.719 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 48.5 t -74.97 -50.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.706 HD22 HD13 ' A' ' 30' ' ' ILE . 14.5 mt -52.21 -28.69 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' HD23 ' A' ' 35' ' ' LEU . 19.4 mttt -74.09 -46.74 41.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 mt -40.92 -36.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -72.48 106.85 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.16 -20.78 43.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -70.31 -33.36 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.391 1.057 . . . . 0.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.706 HD13 HD22 ' A' ' 24' ' ' LEU . 51.2 mt -95.5 143.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.93 141.4 22.47 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 122.827 1.299 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -46.44 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.765 2.31 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -34.07 73.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.8 -40.95 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -50.47 146.97 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.553 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -170.31 143.62 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.4 p -48.92 -27.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -122.75 59.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.09 112.34 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -59.06 167.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.866 ' HA ' HD12 ' A' ' 45' ' ' LEU . 9.8 m-30 -99.0 6.88 46.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.3 mtt -139.9 -45.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 8.9 pttt -57.36 -51.24 70.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 6.6 t70 -99.51 -65.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 41' ' ' PHE . 95.4 mt -49.76 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.36 39.39 1.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.525 HD11 HG12 ' A' ' 30' ' ' ILE . 2.5 mt -95.0 -173.81 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -122.35 170.81 9.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -60.9 -42.72 98.56 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.382 1.052 . . . . 0.0 109.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.22 -33.69 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -86.02 -27.8 24.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.1 tm0? -62.75 -44.09 97.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.62 -31.28 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -46.29 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.507 ' CG2' HD21 ' A' ' 24' ' ' LEU . 10.2 mt -55.38 -47.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' MET . 11.1 mm -56.05 -60.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mmt -39.93 -45.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.719 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -51.65 -46.43 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.457 ' HG3' HD13 ' A' ' 81' ' ' ILE . 19.2 mmt -71.39 -25.3 62.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.433 ' CG ' HD12 ' A' ' 67' ' ' ILE . 42.4 mt-10 -73.35 -20.92 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.02 -49.74 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.513 ' OE2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -52.47 -36.82 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CD2' HD12 ' A' ' 85' ' ' ILE . 30.6 m-85 -105.44 -19.19 13.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.33 73.08 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.5 m-85 -139.56 -172.26 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -138.13 84.12 2.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.515 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 6.2 mt -89.35 118.64 69.29 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.794 1.283 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.68 30.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -24.5 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -69.18 -24.63 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' HB3' HG23 ' A' ' 67' ' ' ILE . 2.0 m-20 -96.36 -50.32 4.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -50.21 -33.36 19.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' O ' ' HE3' ' A' ' 76' ' ' MET . 13.0 pt-20 -72.16 -32.87 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -16.96 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 25.5 mt -90.59 120.1 31.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.484 ' HE3' ' O ' ' A' ' 73' ' ' GLU . 23.1 mmt -125.33 -38.94 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.431 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -105.84 164.97 13.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.816 1.293 . . . . 0.0 108.245 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.3 Cg_endo -69.75 -39.25 6.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.613 2.209 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HB2' HG22 ' A' ' 37' ' ' VAL . 1.6 tp60 -63.52 -31.5 72.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -60.16 -34.35 73.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 59' ' ' MET . 55.9 mt -73.78 -50.74 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.738 ' CG2' HG21 ' A' ' 20' ' ' VAL . 89.3 t -43.5 -43.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -56.45 -44.32 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.087 . . . . 0.0 109.225 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.515 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 38.8 t80 -64.79 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.634 HD12 ' CD2' ' A' ' 63' ' ' PHE . 16.5 mm -73.52 -59.56 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.734 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -39.68 -45.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.01 -50.81 63.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.496 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mmtt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.615 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.56 -31.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.05 -57.05 5.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.8 mt -42.89 -56.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 8.2 tt0 -48.68 -67.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.4 t0 -42.16 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 5.2 mpt_? -39.05 -60.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.704 HG12 HD23 ' A' ' 21' ' ' LEU . 4.5 t -39.56 -44.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -77.42 -56.88 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -38.82 -47.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.578 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 29.0 t -63.06 -46.46 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 55' ' ' ILE . 59.3 mt -56.16 -41.46 75.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -61.06 -50.73 72.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 mt -41.71 -31.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.71 97.03 6.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.7 -36.31 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.16 -33.6 41.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.764 HD11 HD11 ' A' ' 55' ' ' ILE . 58.6 mt -102.96 134.09 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.32 138.32 28.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.812 1.292 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 -47.78 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -25.6 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -88.81 -36.13 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' H ' ' A' ' 36' ' ' SER . 2.8 tp -57.59 156.67 7.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.66 ' H ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER 174.41 146.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.973 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -48.5 -41.52 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -98.99 49.12 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.065 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.58 98.69 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 25.9 t-80 -58.48 155.98 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 10.8 m-85 -90.8 -15.43 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.436 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -122.21 -46.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 17.8 mttt -67.84 -13.52 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.74 -81.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 41' ' ' PHE . 89.3 mt -43.66 -40.18 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.87 0.96 89.08 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.844 HD13 ' OD2' ' A' ' 51' ' ' ASP . 3.9 mt -50.13 157.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 56.6 p30 -96.74 164.78 12.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -45.7 -39.88 8.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.912 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.4 mt -47.18 -33.37 5.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.844 ' OD2' HD13 ' A' ' 47' ' ' LEU . 8.1 t0 -79.59 -34.75 40.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.486 HE22 ' HB1' ' A' ' 72' ' ' ALA . 20.3 tm0? -57.32 -50.16 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.26 -46.88 94.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -60.14 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.764 HD11 HD11 ' A' ' 30' ' ' ILE . 9.6 mt -45.58 -57.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.419 HG13 ' NE2' ' A' ' 52' ' ' GLN . 14.3 mm -49.2 -60.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.0 mtt -46.64 -39.68 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -54.72 -44.14 73.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.7 mmt -72.04 -24.92 61.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.37 -22.69 59.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -99.57 -47.47 5.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -53.19 -42.81 66.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.54 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 87.5 m-85 -109.71 11.5 24.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.17 65.95 1.49 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 6.0 m-85 -123.75 -175.62 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 0.758 . . . . 0.0 111.024 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -144.79 82.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 84' ' ' TYR . 8.4 mt -93.19 121.91 64.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.784 1.278 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 163.96 36.43 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.67 -25.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 70' ' ' ILE . 68.4 m-20 -96.28 -31.8 12.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB1' HE22 ' A' ' 52' ' ' GLN . . . -72.31 -37.68 68.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' HE2' ' A' ' 76' ' ' MET . 20.1 pt-20 -59.0 -32.16 69.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -79.37 -26.51 42.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 80' ' ' GLU . 51.5 mt -83.02 115.61 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.401 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 7.2 mmt -133.57 16.45 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -158.6 164.95 19.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 122.891 1.329 . . . . 0.0 108.214 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.663 ' HA ' HD12 ' A' ' 81' ' ' ILE . 52.6 Cg_endo -69.86 -49.6 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.623 2.216 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -51.95 -49.3 63.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.528 ' HB3' HD23 ' A' ' 75' ' ' LEU . 4.0 mt-10 -45.54 -40.06 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 78' ' ' PRO . 9.2 mt -68.1 -48.57 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 20' ' ' VAL . 98.5 t -46.58 -44.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.55 -39.8 95.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.563 ' CE1' HG12 ' A' ' 67' ' ' ILE . 9.1 t80 -65.46 -36.74 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 2.2 mm -71.75 -56.19 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.75 -51.5 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.79 -53.6 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.236 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -38.56 -30.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -75.71 -54.33 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.579 HG21 ' HB ' ' A' ' 85' ' ' ILE . 57.7 mt -46.41 -58.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.21 -61.05 1.94 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.74 -54.77 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 15' ' ' GLY . 10.2 mpt_? -51.59 -56.52 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.723 HG21 ' CG2' ' A' ' 82' ' ' VAL . 9.4 t -42.52 -40.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -79.25 -60.7 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -42.55 -45.39 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 t -65.72 -48.23 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.794 HD21 HG23 ' A' ' 55' ' ' ILE . 51.1 mt -60.72 -30.85 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HG3' HD13 ' A' ' 35' ' ' LEU . 8.0 mttt -65.66 -49.99 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.2 mt -41.6 -33.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.4 t80 -76.29 100.56 5.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.27 -36.48 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 13.9 mtpt -54.73 -36.5 64.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 1.038 HD11 HD11 ' A' ' 55' ' ' ILE . 24.1 mt -93.17 115.15 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 137.18 66.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.84 1.305 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -46.54 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -15.9 13.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -105.4 -39.72 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.793 HD11 ' CB ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -44.28 127.22 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 78' ' ' PRO . 1.0 OUTLIER -153.14 146.76 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 79' ' ' GLN . 10.5 p -56.34 -30.14 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 7.9 p-10 -112.01 44.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.2 125.06 44.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 76' ' ' MET . 24.1 t-80 -63.38 -167.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.652 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 76' ' ' MET . 22.0 m-85 -130.64 -39.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -98.0 -16.03 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -93.05 -76.2 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -78.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 mt -45.18 -53.85 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.46 43.64 5.16 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.793 HD13 ' OD2' ' A' ' 51' ' ' ASP . 4.3 mt -93.54 162.79 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.06 172.56 8.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 69.6 m -55.7 -41.91 74.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -47.08 -40.75 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.408 1.068 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.793 ' OD2' HD13 ' A' ' 47' ' ' LEU . 6.6 t70 -70.77 -32.4 69.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.3 tm0? -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.7 t -51.41 -50.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.77 -60.01 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 1.038 HD11 HD11 ' A' ' 30' ' ' ILE . 20.6 mt -48.57 -39.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.539 HG22 ' OE2' ' A' ' 60' ' ' GLU . 19.8 mm -65.9 -60.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -46.29 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.52 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.7 mmt -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' OE2' HG22 ' A' ' 56' ' ' ILE . 37.3 mt-10 -63.2 -23.16 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.54 -47.31 5.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -52.8 -40.01 62.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 85' ' ' ILE . 49.4 m-85 -103.14 -20.27 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.48 62.67 2.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CE1' ' HG3' ' A' ' 88' ' ' LYS . 13.3 m-85 -126.89 -178.93 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.754 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -131.65 81.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 71' ' ' ASP . 7.2 mt -89.05 115.86 64.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.832 1.301 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -179.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -24.31 54.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -22.11 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.572 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -98.84 -57.15 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -44.81 -42.91 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' HE2' ' A' ' 76' ' ' MET . 23.2 pt-20 -58.61 -38.57 78.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -73.83 -20.85 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 72' ' ' ALA . 42.0 mt -83.45 123.92 30.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.602 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 20.0 mmt -126.01 -39.94 2.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.515 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -110.99 168.54 7.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.813 1.292 . . . . 0.0 108.223 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.515 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 54.0 Cg_endo -69.74 -35.06 13.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.721 ' HB2' HG22 ' A' ' 37' ' ' VAL . 33.6 tp60 -64.66 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.87 -38.92 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 84' ' ' TYR . 15.1 mt -68.13 -51.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.723 ' CG2' HG21 ' A' ' 20' ' ' VAL . 91.5 t -44.47 -43.01 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -44.97 80.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.483 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.4 t80 -65.86 -34.6 78.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.579 ' HB ' HG21 ' A' ' 16' ' ' ILE . 15.0 mm -70.26 -59.2 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.78 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -40.1 -48.4 2.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -50.72 -52.38 40.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.54 -47.59 7.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.0 -40.36 88.76 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 13' ' ' LEU . 19.1 mt -59.44 -54.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 109.219 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' VAL . 8.0 tt0 -52.52 -65.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -40.59 -45.97 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.773 HG21 HG22 ' A' ' 82' ' ' VAL . 41.3 t -51.95 -37.09 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 21' ' ' LEU . 1.2 mt -81.62 -45.9 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -53.02 -51.08 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.993 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 53.4 t -63.92 -42.63 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.893 ' HB3' HD11 ' A' ' 35' ' ' LEU . 17.8 mt -63.38 -31.23 72.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HG3' HD13 ' A' ' 35' ' ' LEU . 1.9 mttp -68.85 -49.28 59.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.3 -28.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' N ' ' C ' ' A' ' 25' ' ' LYS . 1.6 t80 -81.03 100.47 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.33 -38.12 40.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -52.94 -35.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.775 HG12 HD11 ' A' ' 47' ' ' LEU . 50.3 mt -97.51 109.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.86 137.51 90.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.768 1.27 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -47.11 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.4 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -17.29 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -104.49 -35.42 7.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.893 HD11 ' HB3' ' A' ' 24' ' ' LEU . 1.1 tt -49.41 98.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -135.39 134.65 39.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.456 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.5 m -41.02 -50.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -86.08 44.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.393 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -132.63 128.75 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -78.36 165.07 24.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.697 ' HA ' HD12 ' A' ' 45' ' ' LEU . 61.0 m-85 -91.17 10.57 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtt -149.12 -51.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.06 -50.33 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 5.1 t0 -118.54 -60.66 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 41' ' ' PHE . 44.7 mt -39.63 -56.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.01 73.78 1.13 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.775 HD11 HG12 ' A' ' 30' ' ' ILE . 12.5 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 51' ' ' ASP . 9.1 m-20 -123.47 154.1 39.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -46.58 -39.04 10.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.0 -33.57 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' ASP . 39.0 m-20 -82.94 -23.41 33.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.1 tm0? -65.5 -36.83 85.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.9 t -67.72 -37.06 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -57.19 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.748 HG23 HD21 ' A' ' 24' ' ' LEU . 5.9 mt -41.8 -53.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.45 HG13 ' HB1' ' A' ' 72' ' ' ALA . 20.0 mm -55.12 -56.31 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mtm -44.91 -42.97 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.993 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -53.04 -44.81 67.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG3' HG21 ' A' ' 81' ' ' ILE . 15.9 mmt -73.76 -19.31 60.81 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -80.31 -22.72 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -97.77 -48.67 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.569 ' HG2' HG21 ' A' ' 23' ' ' VAL . 5.3 tp10 -52.08 -42.9 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CZ ' HG23 ' A' ' 16' ' ' ILE . 62.9 m-85 -110.51 15.42 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 69.36 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.8 m-85 -127.62 179.48 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 66' ' ' GLU . 5.6 pt-20 -136.5 92.62 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 12.3 mt -102.94 119.38 55.69 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 122.867 1.318 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.75 33.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -24.42 67.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.03 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' HG23 ' A' ' 67' ' ' ILE . 42.8 m-20 -97.06 -28.08 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -75.29 -37.51 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' ' HE2' ' A' ' 76' ' ' MET . 16.6 pt-20 -61.37 -32.72 72.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -24.02 51.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 80' ' ' GLU . 29.0 mt -87.55 114.35 24.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.429 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 3.5 mmt -130.64 14.34 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.6 163.16 24.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 122.801 1.286 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.456 ' HG2' ' HA ' ' A' ' 37' ' ' VAL . 53.6 Cg_endo -69.78 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -55.6 -40.85 72.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.541 ' HB3' HD23 ' A' ' 75' ' ' LEU . 5.0 mt-10 -50.72 -39.81 52.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' A' ' 59' ' ' MET . 25.5 mt -68.41 -50.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.773 HG22 HG21 ' A' ' 20' ' ' VAL . 96.7 t -44.12 -45.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -56.02 -43.13 77.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.218 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 20.7 t80 -64.85 -31.67 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.468 ' HB ' HG21 ' A' ' 16' ' ' ILE . 4.7 mm -79.42 -63.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.442 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -39.85 -42.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.67 -47.65 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.45 -37.5 57.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -79.3 -36.35 27.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.672 HG21 ' HB ' ' A' ' 85' ' ' ILE . 39.6 mt -62.89 -50.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.02 -64.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.36 -43.75 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 109.185 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -64.44 -48.83 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.715 HG21 ' CG2' ' A' ' 82' ' ' VAL . 27.1 t -47.08 -36.48 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.49 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.9 mt -85.28 -48.28 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -46.06 -51.65 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.825 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 97.5 t -62.9 -44.55 99.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 20' ' ' VAL . 49.8 mt -61.31 -30.56 70.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mttt -73.51 -35.14 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.8 mt -57.76 -30.28 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.2 t80 -81.06 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.0 -40.83 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.98 -37.17 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.578 HD11 HD11 ' A' ' 55' ' ' ILE . 52.8 mt -89.31 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.43 136.16 20.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.806 1.288 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -47.57 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -30.69 70.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -88.4 -35.28 17.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.7 tp -58.58 145.14 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -169.88 156.21 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 79' ' ' GLN . 5.7 p -49.18 -23.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.548 HD22 HG13 ' A' ' 37' ' ' VAL . 1.5 p30 -126.58 59.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 p -124.18 93.53 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 42' ' ' MET . 5.5 t-80 -55.67 119.0 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 2.4 m-85 -70.57 -11.55 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.578 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 22.4 tpp -101.62 -32.96 10.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -100.79 -82.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -38.74 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 16.8 mt -62.26 -57.41 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.99 14.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' PHE . 5.5 mt -76.06 174.08 10.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.87 156.43 18.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m -48.31 -41.58 28.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mt -51.39 -30.82 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 55' ' ' ILE . 90.7 m-20 -88.96 -25.27 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 3.1 tm0? -66.92 -44.92 79.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.28 -40.9 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -58.28 8.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.641 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 5.0 mt -43.04 -51.38 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.7 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.6 mm -55.45 -55.73 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mmt -52.89 -25.56 12.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.825 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -67.25 -39.39 86.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.2 mmt -77.4 -27.05 52.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.7 ' OE2' HG22 ' A' ' 56' ' ' ILE . 33.6 mt-10 -71.73 -28.62 63.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.01 -43.51 13.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.366 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 40.3 m-85 -104.91 0.73 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 52.83 45.83 60.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 63' ' ' PHE . 12.1 m-30 -102.93 -177.67 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.94 84.31 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.23 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.43 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 48.0 mt -99.49 105.09 31.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.747 1.26 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.4 Cg_endo -69.76 156.11 64.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.652 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 1.6 m-20 -52.31 -33.3 41.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.35 -37.66 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.99 -12.66 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 69' ' ' ASP . . . -85.61 -51.03 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' A' ' 76' ' ' MET . 19.5 pt-20 -52.27 -26.6 12.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -78.54 -25.9 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 27.7 mt -85.58 112.9 21.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 7.0 mmt -115.62 -23.53 8.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.85 163.31 33.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.707 1.241 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.73 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.4 Cg_endo -69.8 -46.69 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.552 ' HB2' HG22 ' A' ' 37' ' ' VAL . 4.3 tm0? -49.49 -42.67 44.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -53.07 -36.65 60.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 78' ' ' PRO . 17.7 mt -69.12 -46.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.715 ' CG2' HG21 ' A' ' 20' ' ' VAL . 97.4 t -53.31 -40.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 5.3 t80 -60.2 -63.51 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.672 ' HB ' HG21 ' A' ' 16' ' ' ILE . 21.6 mm -40.11 -59.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -52.11 -62.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -45.95 -31.87 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.588 ' HG2' ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.557 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.64 71.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.8 -32.22 30.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.708 HG21 ' HB ' ' A' ' 85' ' ' ILE . 86.6 mt -63.94 -52.68 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' VAL . 4.1 tt0 -54.97 -65.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -40.34 -46.71 2.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -60.38 -48.12 83.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.667 HG12 HD23 ' A' ' 21' ' ' LEU . 4.6 t -52.24 -52.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.667 HD23 HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -65.78 -44.54 85.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 26' ' ' LEU . 32.6 t80 -54.1 -58.91 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.593 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 54.3 t -51.92 -36.59 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' HB3' HG21 ' A' ' 30' ' ' ILE . 40.1 mt -69.69 -45.57 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -63.43 -31.52 72.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.381 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 22' ' ' TYR . 52.7 mt -65.99 -15.57 63.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' LYS . 27.2 t80 -73.61 -12.36 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 66.62 -68.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -46.1 -31.77 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 55' ' ' ILE . 84.8 mt -84.68 102.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.3 135.48 88.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.8 1.286 . . . . 0.0 109.232 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.734 2.289 . . . . 0.0 112.275 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -37.51 73.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -81.1 -40.91 23.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.77 HD12 ' H ' ' A' ' 36' ' ' SER . 1.4 tp -54.02 153.63 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.77 ' H ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -179.13 142.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -39.92 -55.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -86.84 45.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' SER . 15.9 p -118.86 133.23 55.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -85.54 156.91 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.729 ' HA ' HD12 ' A' ' 45' ' ' LEU . 64.7 m-85 -90.45 11.91 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.3 mtt -150.95 -46.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -49.45 -52.34 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -111.2 -64.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 41' ' ' PHE . 94.0 mt -39.56 -68.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.26 63.41 1.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.508 HD11 HG12 ' A' ' 30' ' ' ILE . 4.8 mt -117.99 157.58 26.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.48 163.08 15.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -53.65 -48.29 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.968 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.51 -22.2 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.5 -29.1 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.199 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 5.6 tm0? -75.75 -37.95 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 54' ' ' GLU . 6.7 p -64.88 -50.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.486 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -60.6 -39.3 87.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 110.211 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 30' ' ' ILE . 25.8 mt -57.43 -63.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.774 HG22 ' OE2' ' A' ' 60' ' ' GLU . 39.2 mm -40.81 -50.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.37 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.593 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -48.09 -40.43 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.444 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 20.3 mmt -75.04 -35.04 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.903 ' HG3' HD12 ' A' ' 67' ' ' ILE . 26.4 mt-10 -64.3 -25.21 67.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -92.5 -50.22 5.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 2.2 tp10 -57.05 -26.54 60.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.639 ' CD2' HD12 ' A' ' 85' ' ' ILE . 27.1 m-85 -112.06 -20.88 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 71.2 69.27 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE1' ' HE3' ' A' ' 88' ' ' LYS . 15.1 m-85 -138.16 176.01 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -124.48 86.72 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 60' ' ' GLU . 16.3 mt -93.58 112.92 58.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 122.766 1.269 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.81 159.8 52.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -26.34 62.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.4 -25.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 70' ' ' ILE . 19.1 m-20 -100.81 -50.83 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.636 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -49.19 -31.17 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.411 ' O ' ' HE2' ' A' ' 76' ' ' MET . 25.1 pt-20 -73.79 -37.98 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -16.09 63.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.45 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 32.3 mt -91.83 110.17 21.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.447 ' HE1' ' NE2' ' A' ' 52' ' ' GLN . 4.0 mmt -129.12 19.99 5.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.31 160.54 26.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.729 1.252 . . . . 0.0 108.332 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HG2' ' HA ' ' A' ' 37' ' ' VAL . 53.2 Cg_endo -69.85 -48.87 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -54.66 -43.88 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.04 -41.96 60.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' TYR . 19.9 mt -66.32 -51.52 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.582 HG22 HG21 ' A' ' 20' ' ' VAL . 91.4 t -42.91 -44.87 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.15 -43.53 82.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 28.5 t80 -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.708 ' HB ' HG21 ' A' ' 16' ' ' ILE . 5.9 mm -83.74 -62.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.557 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -40.12 -42.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.99 -50.37 68.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 65' ' ' PHE . 5.6 mmtt . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 4.6 tt0 -38.9 -58.23 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.77 -46.32 92.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.738 HG21 ' HB ' ' A' ' 85' ' ' ILE . 46.5 mt -51.48 -55.35 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' VAL . 10.1 tt0 -51.62 -68.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . 20.7 t0 -39.06 -45.58 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -62.6 -48.0 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.589 HG21 ' CG2' ' A' ' 82' ' ' VAL . 19.3 t -49.74 -30.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.569 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.4 mt -91.51 -40.78 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -54.25 -47.84 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 74.3 t -67.43 -44.4 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD21 HG23 ' A' ' 55' ' ' ILE . 61.7 mt -63.5 -26.01 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 35' ' ' LEU . 15.2 mttt -78.68 -45.89 20.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.4 mt -49.78 -26.22 3.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -82.43 103.36 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -52.35 -36.4 53.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -33.85 60.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.84 HG12 HD11 ' A' ' 47' ' ' LEU . 66.0 mt -99.45 135.38 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 141.12 22.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.792 1.282 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -46.24 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -44.67 79.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.2 tp -53.4 140.11 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.96 146.5 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.633 HG12 ' HB2' ' A' ' 79' ' ' GLN . 7.1 t -48.36 -41.08 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -108.11 53.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.4 p -115.46 162.48 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 15.0 t-80 -110.58 147.24 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.741 ' HA ' HD12 ' A' ' 45' ' ' LEU . 60.1 m-85 -86.75 8.64 21.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.54 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 30.3 mtt -140.65 -68.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 2.7 mmtt -40.25 -69.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.83 -76.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' A' ' 41' ' ' PHE . 88.1 mt -40.01 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.71 50.36 1.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 HG12 ' A' ' 30' ' ' ILE . 15.5 mt -97.32 -172.95 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -122.48 158.36 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.9 p -52.5 -43.44 65.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.14 -30.55 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.49 -26.92 25.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.7 tm0? -62.39 -38.39 89.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.54 -32.13 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.2 -53.67 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.742 HD11 HD11 ' A' ' 30' ' ' ILE . 7.9 mt -47.77 -60.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' A' ' 75' ' ' LEU . 16.2 mm -47.17 -63.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -37.52 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -54.84 -43.52 73.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.439 ' HG3' HG21 ' A' ' 81' ' ' ILE . 21.2 mmt -69.82 -47.89 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.556 ' OE2' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -53.65 -25.68 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -31.0 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.523 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 53.1 m-85 -111.66 -28.74 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 56.09 2.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 27.5 m-85 -128.03 -171.7 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -140.5 91.59 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.556 HD12 ' OE2' ' A' ' 60' ' ' GLU . 62.3 mt -92.06 120.28 67.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.817 1.294 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 173.0 11.6 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.389 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -24.53 60.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -24.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.82 -46.19 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -52.99 -29.14 27.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' HE2' ' A' ' 76' ' ' MET . 16.0 pt-20 -76.4 -35.45 58.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -12.53 60.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.442 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 28.4 mt -94.36 109.81 21.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.41 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 10.5 mmt -130.04 14.03 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.9 158.6 31.75 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 122.763 1.268 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.629 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.2 Cg_endo -69.8 -38.24 7.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.633 ' HB2' HG12 ' A' ' 37' ' ' VAL . 12.8 tp60 -63.96 -33.77 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.418 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.0 mt-10 -63.22 -27.57 69.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 78' ' ' PRO . 15.4 mt -80.81 -49.5 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.589 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.2 t -44.93 -40.8 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.01 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.511 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.1 t80 -64.32 -36.57 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.738 ' HB ' HG21 ' A' ' 16' ' ' ILE . 19.5 mm -74.13 -55.18 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.455 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -49.91 -33.93 18.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.49 -38.58 91.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.285 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.537 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.41 -42.26 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.74 -44.36 32.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.66 HG21 ' HB ' ' A' ' 85' ' ' ILE . 19.8 mt -57.68 -53.67 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -51.64 -65.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -43.67 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.431 ' NH1' ' OE2' ' A' ' 62' ' ' GLU . 23.6 mmt85 -66.33 -47.3 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.735 HG21 ' CG2' ' A' ' 82' ' ' VAL . 20.7 t -48.08 -38.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -78.95 -46.95 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -51.08 -55.71 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.669 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 45.1 t -58.06 -49.44 81.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.833 ' CB ' HD11 ' A' ' 35' ' ' LEU . 49.5 mt -57.05 -40.61 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG3' HD13 ' A' ' 35' ' ' LEU . 9.8 mttt -62.05 -51.38 68.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.1 mt -42.59 -37.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.536 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 4.5 t80 -73.76 99.21 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.94 -40.5 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.23 -37.73 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 55' ' ' ILE . 43.8 mt -94.79 107.54 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.43 140.23 78.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.829 1.3 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.89 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -28.66 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -96.82 -44.11 7.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -40.72 117.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.423 1.077 . . . . 0.0 109.384 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.95 148.12 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.644 HG12 ' HB2' ' A' ' 79' ' ' GLN . 10.5 t -42.98 -42.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -108.34 48.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.577 ' HB2' HD11 ' A' ' 45' ' ' LEU . 98.7 p -108.5 114.78 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 18.3 t-80 -73.2 137.58 45.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.406 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 21.4 m-85 -87.23 15.62 6.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.473 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -138.72 -45.79 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -75.65 -70.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 3.8 t0 -66.95 -89.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 39' ' ' SER . 4.4 mp -38.83 -65.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.98 64.04 1.19 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.765 HD11 HG12 ' A' ' 30' ' ' ILE . 16.1 mt -105.81 179.0 4.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.04 176.67 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -66.7 -45.54 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.635 ' O ' HG12 ' A' ' 53' ' ' VAL . 1.8 mt -52.93 -26.11 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.423 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -83.2 -24.49 32.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.391 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 35.3 tp60 -74.78 -38.12 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 50' ' ' LEU . 7.6 p -65.15 -30.06 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -55.84 4.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 30' ' ' ILE . 7.2 mt -43.08 -50.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.539 HG13 ' HB1' ' A' ' 72' ' ' ALA . 24.5 mm -55.56 -56.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 mmt -46.17 -37.79 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.669 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -61.2 -42.47 98.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.6 mmt -76.44 -23.45 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -74.62 -21.05 59.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -94.6 -50.87 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -56.91 -34.69 68.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.561 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 19.7 m-85 -106.06 -5.54 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.57 50.48 48.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 63' ' ' PHE . 9.5 m-85 -113.59 -177.84 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -134.09 83.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 84' ' ' TYR . 10.5 mt -88.67 121.55 69.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 122.818 1.294 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.92 10.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.38 58.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.14 -25.72 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' A' ' 67' ' ' ILE . 1.7 t70 -97.43 -50.14 4.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -49.45 -34.44 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.65 -29.37 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -81.76 -17.48 47.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.461 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.8 mt -89.53 116.86 28.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 10.1 mmt -134.62 15.41 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.22 158.97 31.76 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.809 1.29 . . . . 0.0 108.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.9 Cg_endo -69.66 -41.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.415 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.644 ' HB2' HG12 ' A' ' 37' ' ' VAL . 33.8 tp60 -59.89 -36.96 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.452 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -59.7 -43.21 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 78' ' ' PRO . 7.1 mt -63.15 -54.33 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.735 ' CG2' HG21 ' A' ' 20' ' ' VAL . 86.4 t -42.98 -44.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -55.57 -44.33 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 67' ' ' ILE . 34.4 t80 -65.49 -34.64 78.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.66 ' HB ' HG21 ' A' ' 16' ' ' ILE . 17.0 mm -74.56 -63.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.401 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -41.73 -47.62 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -44.52 -51.15 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -41.87 7.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.35 -40.16 34.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.1 mt -56.1 -55.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.736 . . . . 0.0 109.247 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.03 -64.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -41.92 -41.59 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.6 -49.13 64.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.725 HG21 ' CG2' ' A' ' 82' ' ' VAL . 3.7 t -47.21 -45.75 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.66 HD23 HG12 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -72.08 -55.49 7.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -42.06 -55.55 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.67 ' HA ' HD12 ' A' ' 26' ' ' LEU . 15.6 t -55.68 -45.31 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 55' ' ' ILE . 77.6 mt -62.49 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HG3' HD13 ' A' ' 35' ' ' LEU . 15.8 mttt -55.55 -45.87 77.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 23' ' ' VAL . 30.8 mt -46.97 -29.72 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.32 100.53 8.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -47.12 -39.13 12.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -52.22 -36.87 53.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 24' ' ' LEU . 71.6 mt -94.91 113.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.74 139.21 58.09 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 122.76 1.267 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.55 2.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -16.61 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -107.24 -41.58 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.4 tt -40.28 141.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.621 ' H ' HD23 ' A' ' 35' ' ' LEU . 1.4 p -169.2 141.94 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.648 HG22 ' HB2' ' A' ' 79' ' ' GLN . 3.7 p -51.16 -20.28 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 39' ' ' SER . 56.6 m-20 -95.9 -44.05 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -33.19 147.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 0.9 OUTLIER -112.24 137.7 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.775 ' HA ' HD12 ' A' ' 45' ' ' LEU . 6.2 m-30 -61.04 -12.99 13.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 2.0 mtt -126.49 -62.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 4.4 tttt -36.07 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.23 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -77.21 -75.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 41' ' ' PHE . 84.7 mt -38.52 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.44 57.46 1.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.542 HD13 HD11 ' A' ' 55' ' ' ILE . 6.8 mt -101.51 163.97 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -89.11 148.8 23.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -45.88 -44.63 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.68 -37.96 19.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.1 -25.82 31.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.6 tm0? -63.77 -41.23 98.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.55 -41.1 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -51.99 65.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.735 HG23 HD21 ' A' ' 24' ' ' LEU . 8.9 mt -45.7 -53.19 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.706 HG21 ' CB ' ' A' ' 72' ' ' ALA . 42.2 mm -57.57 -55.94 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mtt -41.62 -43.54 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -55.55 -49.42 72.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.36 -36.17 83.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.626 ' HG2' HD12 ' A' ' 67' ' ' ILE . 52.0 mt-10 -60.32 -34.7 74.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 110.339 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.68 -35.99 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.57 ' HG3' HG21 ' A' ' 23' ' ' VAL . 1.3 tm-20 -53.55 -34.24 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.755 ' CD2' HD12 ' A' ' 85' ' ' ILE . 91.5 m-85 -115.94 -29.2 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 84.77 56.2 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 63' ' ' PHE . 18.0 m-30 -114.38 -5.21 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.6 mt-10 37.56 36.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.626 HD12 ' HG2' ' A' ' 60' ' ' GLU . 4.6 mt -39.63 136.0 1.19 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.739 1.257 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.7 -179.07 2.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.38 -24.71 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -64.22 -25.37 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' LYS . 3.0 m-20 -99.97 -52.65 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.706 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -47.61 -29.09 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -35.23 44.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -70.08 -15.87 63.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.55 HD13 HG12 ' A' ' 81' ' ' ILE . 25.8 mt -90.2 134.91 33.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 15.7 mmt -129.64 -41.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.507 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -108.04 168.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.845 1.307 . . . . 0.0 108.321 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.8 Cg_endo -69.68 -30.62 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.648 ' HB2' HG22 ' A' ' 37' ' ' VAL . 61.6 tp60 -71.42 -33.28 69.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.216 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.494 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -56.02 -43.16 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.55 HG12 HD13 ' A' ' 75' ' ' LEU . 4.6 mt -64.17 -52.82 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.382 1.051 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.725 ' CG2' HG21 ' A' ' 20' ' ' VAL . 97.5 t -42.6 -46.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.97 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE1' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -68.39 -34.54 76.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.755 HD12 ' CD2' ' A' ' 63' ' ' PHE . 11.5 mm -68.02 -63.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -42.76 -34.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.12 -48.9 79.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' ILE . 15.5 mmtt . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -43.36 -29.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.32 -42.88 17.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 HD22 ' A' ' 13' ' ' LEU . 44.1 mt -57.51 -56.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -52.9 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -47.37 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.1 mmt-85 -60.22 -52.43 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.618 HG12 HD23 ' A' ' 21' ' ' LEU . 15.5 t -47.48 -57.05 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.966 ' HB3' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -62.47 -51.6 66.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.612 1.195 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -48.15 -48.7 34.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 40.6 t -64.53 -41.48 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.614 HD22 HD13 ' A' ' 30' ' ' ILE . 39.3 mt -64.17 -34.31 77.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HE3' HD23 ' A' ' 35' ' ' LEU . 4.2 mttp -64.42 -47.99 77.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.1 mt -47.51 -28.22 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 3.0 t80 -83.29 101.42 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.18 -38.66 12.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 55' ' ' ILE . 38.3 mt -97.66 133.35 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -98.14 142.01 23.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.737 1.256 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -46.0 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.389 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -42.0 99.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -77.21 -31.4 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.966 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.2 tp -55.09 137.64 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.96 135.9 11.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.2 p -47.45 -26.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -122.85 53.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.99 132.43 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 43.7 t-80 -76.36 151.3 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.877 ' HA ' HD12 ' A' ' 45' ' ' LEU . 34.3 m-85 -87.66 2.24 51.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.438 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 54.8 mtt -139.67 -51.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.39 -59.68 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.9 -66.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 41' ' ' PHE . 90.9 mt -41.35 -83.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.42 54.58 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.417 1.073 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -102.82 171.39 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.598 0.822 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' OD2' ' A' ' 51' ' ' ASP . 15.3 t70 -102.86 166.63 10.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 p -48.34 -38.49 19.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' HA ' HG12 ' A' ' 53' ' ' VAL . 7.1 mt -54.66 -18.67 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.921 ' OD1' HD12 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -78.23 -36.46 47.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' CG1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.87 -47.49 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 57' ' ' MET . 7.9 p -60.2 -35.24 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.83 -51.26 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.921 HD12 ' OD1' ' A' ' 51' ' ' ASP . 24.7 mt -48.75 -52.95 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' OE1' ' A' ' 52' ' ' GLN . 25.1 mm -63.66 -51.8 65.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 2.8 mmt -50.75 -22.81 2.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.645 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -76.23 -44.81 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.578 ' HG3' HG21 ' A' ' 81' ' ' ILE . 16.4 mmt -69.09 -24.38 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.48 -20.53 60.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.87 -45.52 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -43.17 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.447 ' CD2' HD12 ' A' ' 85' ' ' ILE . 75.1 m-85 -112.55 15.56 20.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 59.98 1.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -110.98 -176.93 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.01 77.62 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.561 HG12 ' CE1' ' A' ' 84' ' ' TYR . 4.9 mt -93.06 125.71 53.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.821 1.296 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 166.78 26.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.28 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -66.17 -24.35 66.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.63 -26.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 70' ' ' ILE . 89.1 m-20 -99.99 -18.75 16.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -86.6 -50.6 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' CE ' ' A' ' 76' ' ' MET . 7.2 pt-20 -57.95 -19.25 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.56 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.725 HD23 ' HB3' ' A' ' 80' ' ' GLU . 35.2 mt -82.42 122.7 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 15.5 mmt -134.9 8.28 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -150.0 164.36 21.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.752 1.263 . . . . 0.0 108.357 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.646 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.7 Cg_endo -69.78 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.476 ' HB2' HG22 ' A' ' 37' ' ' VAL . 1.7 tp60 -58.79 -37.97 77.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.725 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -55.03 -24.0 22.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 78' ' ' PRO . 9.7 mt -85.43 -47.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 16' ' ' ILE . 83.1 t -46.83 -48.71 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.62 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.561 ' CE1' HG12 ' A' ' 67' ' ' ILE . 6.2 t80 -67.74 -36.48 80.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.447 HD12 ' CD2' ' A' ' 63' ' ' PHE . 2.8 mm -73.89 -58.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.405 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -39.6 -53.01 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -57.54 -54.11 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.932 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.526 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.52 -46.53 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.86 -38.68 48.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.678 HG21 ' HB ' ' A' ' 85' ' ' ILE . 72.0 mt -58.21 -54.17 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -54.22 -65.48 0.56 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -41.16 -45.5 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.65 -47.33 85.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.715 HG21 HG22 ' A' ' 82' ' ' VAL . 23.6 t -52.15 -39.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -78.49 -41.58 32.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -58.7 -51.34 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.756 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 46.3 t -62.97 -44.27 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.776 ' CB ' HD11 ' A' ' 35' ' ' LEU . 63.0 mt -62.97 -29.2 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.223 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -43.57 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.6 mt -45.56 -36.37 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.519 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.1 t80 -73.9 99.5 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -47.38 -38.32 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 6.5 mttt -53.29 -37.02 61.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.676 HD11 HD11 ' A' ' 55' ' ' ILE . 11.6 mt -91.58 106.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.85 136.21 92.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.827 1.299 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.288 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -18.57 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.236 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -101.71 -40.47 6.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.776 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -43.8 117.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -155.39 135.8 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.458 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.6 m -40.93 -40.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -95.62 49.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 59.7 m -136.9 124.38 22.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.435 ' CG ' ' H ' ' A' ' 41' ' ' PHE . 16.8 t-80 -67.72 -170.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.565 ' HA ' HD12 ' A' ' 45' ' ' LEU . 22.9 m-85 -124.62 -34.52 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.38 -25.63 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.81 -78.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.21 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.53 -78.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 41' ' ' PHE . 38.8 mt -41.46 -67.59 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.54 43.25 2.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.527 HD11 ' CG1' ' A' ' 30' ' ' ILE . 8.3 mt -86.97 168.37 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.96 171.5 9.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 m -67.4 -46.37 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.86 ' O ' HG12 ' A' ' 53' ' ' VAL . 3.0 mt -52.42 -27.72 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -81.41 -25.07 36.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 7.5 tm0? -73.18 -27.31 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 50' ' ' LEU . 9.3 p -77.4 -27.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -49.26 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.676 HD11 HD11 ' A' ' 30' ' ' ILE . 12.8 mt -47.59 -53.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.0 mm -49.98 -61.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mmt -44.2 -45.89 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.756 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -46.45 -41.66 14.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.1 mmt -70.92 -49.76 42.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.486 ' CD ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -56.24 -24.42 42.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -89.51 -39.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 8.5 tm-20 -70.75 -24.59 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.187 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.559 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 57.2 m-85 -111.57 -30.01 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 87.29 32.08 14.93 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.632 ' HE2' HG23 ' A' ' 85' ' ' ILE . 19.1 m-85 -100.17 -173.53 2.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -142.3 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 84' ' ' TYR . 47.3 mt -93.85 116.7 66.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.859 1.314 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.75 159.53 53.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.35 -24.61 56.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.062 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.14 -25.29 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.387 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 70' ' ' ILE . 80.9 m-20 -101.15 -31.83 10.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -67.93 -31.06 70.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -72.39 -33.27 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -11.53 60.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 72' ' ' ALA . 16.5 mt -98.51 119.26 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.8 mmt -130.6 4.84 4.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -149.16 164.75 19.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 122.82 1.295 . . . . 0.0 108.265 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.556 ' HD3' ' CZ ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.85 -50.18 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -56.61 -43.62 80.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -31.29 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' TYR . 21.9 mt -77.96 -49.59 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.715 HG22 HG21 ' A' ' 20' ' ' VAL . 85.8 t -44.82 -40.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -43.27 94.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' HG12 ' A' ' 67' ' ' ILE . 28.3 t80 -63.83 -29.07 70.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.678 ' HB ' HG21 ' A' ' 16' ' ' ILE . 9.6 mm -80.62 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.526 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.13 -47.36 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -57.45 -50.21 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.1 t 51.93 85.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 0.793 . . . . 0.0 109.995 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.8 t -90.77 160.19 15.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.02 -94.38 0.17 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.55 1.156 . . . . 0.0 110.95 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -163.92 145.8 9.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.8 t -165.36 102.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.05 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -93.85 172.9 32.94 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.477 1.11 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttm -126.0 88.42 54.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 122.822 1.296 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -47.95 168.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 0.0 112.382 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.456 ' C ' HD23 ' A' ' 11' ' ' LEU . 64.2 Cg_exo -47.95 175.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.656 2.237 . . . . 0.0 112.318 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 HD23 ' C ' ' A' ' 10' ' ' PRO . 5.7 mt -102.67 112.85 25.81 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 109.235 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.9 p -139.82 165.26 27.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.417 1.073 . . . . 0.0 110.373 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.79 HD22 HD12 ' A' ' 16' ' ' ILE . 0.6 OUTLIER -48.37 -41.21 28.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.406 1.066 . . . . 0.0 109.253 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -49.85 -22.75 1.57 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -87.34 -36.87 8.51 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.79 HD12 HD22 ' A' ' 13' ' ' LEU . 88.9 mt -59.84 -59.04 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.725 . . . . 0.0 109.37 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 20' ' ' VAL . 9.8 tt0 -52.87 -65.39 0.57 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 110.251 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -40.41 -45.6 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.36 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -63.51 -44.87 93.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.553 HG21 ' CG2' ' A' ' 82' ' ' VAL . 20.7 t -54.32 -41.13 51.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.465 HD23 ' N ' ' A' ' 21' ' ' LEU . 1.0 OUTLIER -78.76 -50.89 10.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -48.31 -49.61 33.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.585 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 25.4 t -61.78 -44.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.16 . . . . 0.0 109.32 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.603 HD21 HG23 ' A' ' 55' ' ' ILE . 58.0 mt -64.62 -31.5 72.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' LEU . 16.1 mttt -69.14 -47.65 64.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.356 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.2 mt -45.18 -26.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -84.11 98.94 10.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -49.43 -39.48 33.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.36 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.56 -36.12 43.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.327 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.857 HD11 HD11 ' A' ' 55' ' ' ILE . 49.9 mt -97.08 119.27 44.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.99 140.5 50.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.739 1.256 . . . . 0.0 109.309 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 35' ' ' LEU . 53.2 Cg_endo -69.83 -46.67 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.58 2.187 . . . . 0.0 112.357 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -51.78 55.39 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.59 1.181 . . . . 0.0 110.285 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -68.25 -44.35 75.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -47.76 141.93 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.375 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.7 m -165.05 143.17 6.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.694 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.1 p -45.85 -28.77 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.95 55.88 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.71 118.44 21.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.019 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 27.6 t-80 -59.96 175.57 0.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.542 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.531 ' HA ' HD12 ' A' ' 45' ' ' LEU . 16.8 m-85 -116.13 -25.4 7.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.039 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.8 mtt -114.81 -24.59 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 2.7 mtpt -87.87 -29.46 20.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.581 1.175 . . . . 0.0 109.25 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.68 -72.88 0.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.433 1.083 . . . . 0.0 109.29 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.531 HD12 ' HA ' ' A' ' 41' ' ' PHE . 41.0 mt -55.38 -53.05 61.07 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 41' ' ' PHE . . . 86.19 42.32 6.69 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.535 1.147 . . . . 0.0 111.033 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD11 HG12 ' A' ' 30' ' ' ILE . 13.4 mt -85.07 -177.53 6.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 0.767 . . . . 0.0 109.266 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -114.86 161.09 18.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -50.66 -42.13 56.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.055 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -50.82 -26.12 5.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.407 ' O ' HD12 ' A' ' 55' ' ' ILE . 0.3 OUTLIER -89.08 -28.16 20.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 34.6 tp60 -66.41 -43.3 86.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.27 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.0 -37.42 77.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.42 -63.11 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.857 HD11 HD11 ' A' ' 30' ' ' ILE . 6.2 mt -42.01 -51.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.785 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.1 mm -57.77 -60.66 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 109.357 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.43 -29.83 2.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -63.84 -42.83 97.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.1 mmt -73.18 -34.06 65.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.785 ' OE2' HG22 ' A' ' 56' ' ' ILE . 37.0 mt-10 -64.09 -25.56 68.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.289 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -94.31 -51.48 4.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 3.1 tp10 -52.09 -27.35 13.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 110.298 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.691 ' CD2' HD12 ' A' ' 85' ' ' ILE . 36.8 m-85 -112.93 -27.12 8.2 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 79.07 69.67 1.38 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.14 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 18.8 m-85 -138.06 -175.23 4.03 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 0.726 . . . . 0.0 110.961 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' A' ' 66' ' ' GLU . 2.5 pt-20 -133.41 86.02 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.267 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.639 HD12 ' HG3' ' A' ' 60' ' ' GLU . 10.7 mt -92.48 116.12 65.95 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-O 122.863 1.316 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.82 159.19 54.26 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.653 2.235 . . . . 0.0 112.371 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -59.05 -24.82 63.2 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.4 -25.63 33.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.354 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.455 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -96.85 -52.45 3.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.519 ' HB2' HG21 ' A' ' 56' ' ' ILE . . . -48.91 -31.33 7.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.237 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' O ' ' HE2' ' A' ' 76' ' ' MET . 11.6 pt-20 -75.33 -31.87 60.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.5 -14.19 59.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.319 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 22.7 mt -94.53 115.14 27.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.459 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 10.5 mmt -128.6 14.46 6.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 111.029 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 41' ' ' PHE . 0.8 OUTLIER -155.57 159.25 31.8 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 122.825 1.298 . . . . 0.0 108.27 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.518 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.6 Cg_endo -69.77 -36.21 11.2 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.709 2.273 . . . . 0.0 112.324 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.694 ' HB2' HG22 ' A' ' 37' ' ' VAL . 61.1 tp60 -66.83 -32.43 73.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.408 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.03 -29.83 69.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 1.153 . . . . 0.0 110.236 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.518 HD12 ' HA ' ' A' ' 78' ' ' PRO . 10.8 mt -78.65 -49.96 19.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.553 ' CG2' HG21 ' A' ' 20' ' ' VAL . 98.1 t -43.51 -43.89 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.57 -42.74 93.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.525 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.3 t80 -64.59 -32.43 74.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.394 1.059 . . . . 0.0 111.055 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.691 HD12 ' CD2' ' A' ' 63' ' ' PHE . 7.7 mm -78.27 -58.93 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.637 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -39.96 -49.19 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.425 1.078 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -52.53 -53.24 48.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.461 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 7.7 mmtt -51.48 -37.35 48.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.24 82.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 61.7 148.71 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.4 p -113.17 33.32 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -88.89 37.33 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -103.88 150.72 23.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.337 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.9 m -52.63 170.75 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.055 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 140.14 154.54 6.31 Favored Glycine 0 CA--C 1.531 1.038 0 CA-C-O 122.771 1.206 . . . . 0.0 110.989 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 78.15 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.597 2.198 . . . . 0.0 112.369 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -105.58 111.63 24.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.49 158.08 18.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 110.005 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 O-C-N 124.55 1.157 . . . . 0.0 110.959 -179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.2 p -171.68 125.32 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 0.749 . . . . 0.0 109.953 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.77 167.22 27.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 110.008 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.41 130.87 29.38 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.488 1.117 . . . . 0.0 111.073 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.2 p -165.07 105.34 0.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 110.055 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.6 t -126.19 130.15 50.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.02 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.93 -155.98 20.86 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.444 1.09 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.9 mtp -131.09 78.17 73.54 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 122.81 1.291 . . . . 0.0 111.012 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.0 162.38 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.632 2.221 . . . . 0.0 112.356 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -47.95 173.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.727 2.285 . . . . 0.0 112.276 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.506 HD12 ' CB ' ' A' ' 90' ' ' ASP . 3.7 mt -101.28 97.59 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 13' ' ' LEU . 57.1 p -136.17 168.5 19.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.458 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -40.48 -55.34 2.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.378 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.03 -44.87 4.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 110.264 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.84 -38.56 35.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.664 HG21 ' HB ' ' A' ' 85' ' ' ILE . 77.5 mt -57.57 -53.81 39.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 109.349 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -53.79 -65.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.35 -41.81 4.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -65.2 -45.88 82.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.669 HG21 ' CG2' ' A' ' 82' ' ' VAL . 11.1 t -51.65 -49.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.727 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -72.26 -57.26 4.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.539 1.149 . . . . 0.0 109.32 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -42.92 -46.12 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.626 HG21 ' HG2' ' A' ' 62' ' ' GLU . 6.1 t -66.17 -48.28 81.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.722 HD21 HG23 ' A' ' 55' ' ' ILE . 35.7 mt -57.97 -43.18 86.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' C ' ' N ' ' A' ' 27' ' ' TYR . 11.6 mttt -50.57 -47.46 57.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 23' ' ' VAL . 41.5 mt -40.18 -29.74 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CE2' ' OD1' ' A' ' 51' ' ' ASP . 1.8 t80 -81.72 100.04 9.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.48 -38.41 43.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.35 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -52.27 -33.76 43.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.343 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.009 HD11 HD11 ' A' ' 55' ' ' ILE . 43.8 mt -97.5 131.26 44.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.356 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.05 139.11 21.05 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 122.837 1.304 . . . . 0.0 109.267 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -45.75 1.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.62 2.213 . . . . 0.0 112.352 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -23.13 62.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.107 . . . . 0.0 110.327 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 12.4 mtpp -93.8 -51.13 5.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 36' ' ' SER . 4.3 tt -39.42 149.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.704 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -158.78 129.46 6.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.054 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.749 HG22 ' HB2' ' A' ' 79' ' ' GLN . 8.3 p -39.7 -30.35 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.45 ' N ' ' C ' ' A' ' 36' ' ' SER . 8.4 t-20 -121.64 61.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.36 134.03 45.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 110.067 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.559 ' CE1' ' HB3' ' A' ' 76' ' ' MET . 28.8 t-80 -80.0 141.6 35.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.546 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.732 ' HA ' HD12 ' A' ' 45' ' ' LEU . 72.0 m-85 -80.51 -10.65 59.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 51.2 mtt -127.08 -40.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.523 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -91.78 23.93 3.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.495 ' CB ' ' O ' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -156.81 -68.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.551 1.157 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.732 HD12 ' HA ' ' A' ' 41' ' ' PHE . 32.4 mt -65.83 -67.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 117.01 32.85 1.46 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.589 1.181 . . . . 0.0 110.971 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.66 HD13 ' OD2' ' A' ' 51' ' ' ASP . 5.2 mt -88.66 165.59 14.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.351 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -97.14 176.91 5.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.258 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.8 m -59.74 -42.36 93.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.933 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -47.38 -37.46 11.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.103 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.66 ' OD2' HD13 ' A' ' 47' ' ' LEU . 7.5 t70 -73.15 -33.86 65.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.237 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' SER . 6.0 tm0? -61.03 -43.12 99.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.8 t -65.41 -47.96 84.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -60.32 -54.59 43.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 1.009 HD11 HD11 ' A' ' 30' ' ' ILE . 15.4 mt -51.03 -51.54 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.35 -63.64 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 109.299 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 60' ' ' GLU . 9.8 mtt -40.89 -50.53 3.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.82 -47.59 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.6 mmt -68.35 -33.78 74.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 57' ' ' MET . 39.3 mt-10 -65.83 -21.0 66.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -100.98 -50.38 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.353 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.626 ' HG2' HG21 ' A' ' 23' ' ' VAL . 15.2 tp10 -51.91 -35.68 46.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 110.326 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.693 ' CD2' HD12 ' A' ' 85' ' ' ILE . 32.5 m-85 -107.67 -20.5 13.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 75.59 59.35 3.54 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.478 1.112 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 22.4 m-85 -128.38 167.11 17.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.68 85.11 2.37 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.524 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 22.0 mt -88.79 126.35 59.87 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 122.75 1.262 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -179.54 2.96 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.55 -24.69 41.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -66.12 -24.7 34.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.345 179.909 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -97.84 -52.23 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -49.53 -27.14 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 20.5 pt-20 -80.13 -32.23 39.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -80.83 -18.27 47.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 32.6 mt -88.15 116.11 26.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.559 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 10.3 mmt -134.42 14.89 3.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.26 158.23 31.45 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.771 1.272 . . . . 0.0 108.315 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.556 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.0 Cg_endo -69.8 -38.46 7.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.607 2.205 . . . . 0.0 112.378 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.749 ' HB2' HG22 ' A' ' 37' ' ' VAL . 33.2 tp60 -62.62 -33.36 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -38.82 89.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 110.334 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 78' ' ' PRO . 8.8 mt -68.32 -52.21 39.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.669 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.0 t -42.63 -47.4 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -43.52 76.56 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.522 1.139 . . . . 0.0 109.346 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 8.9 t80 -66.75 -34.54 78.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 111.011 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.693 HD12 ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.36 -57.85 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 109.248 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.439 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -39.87 -46.62 2.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -53.06 -51.25 62.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 85' ' ' ILE . 10.8 mmtt -57.29 -36.99 71.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? 41.1 81.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.506 ' CB ' HD12 ' A' ' 11' ' ' LEU . 6.5 m-20 -41.79 115.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.7 p -126.8 37.1 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.74 35.32 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -100.81 -53.53 3.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 110.248 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -143.41 121.02 11.79 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 110.044 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 172.42 -164.33 36.64 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 122.81 1.228 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 133.46 25.63 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.65 2.233 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 13.8 m -88.42 169.98 11.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.92 168.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.057 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.445 1.091 . . . . 0.0 111.048 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.14 168.99 11.37 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 0.788 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -166.73 139.87 3.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.4 136.55 3.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.478 1.112 . . . . 0.0 110.991 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.8 p 176.82 166.8 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 0.0 110.064 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.42 125.43 17.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.449 1.093 . . . . 0.0 110.013 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.8 157.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.481 1.113 . . . . 0.0 110.973 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.68 140.93 5.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-O 122.713 1.244 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -47.86 169.93 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.337 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_exo -48.02 179.63 0.01 OUTLIER 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.728 2.285 . . . . 0.0 112.333 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.597 HD12 HG21 ' A' ' 91' ' ' VAL . 4.1 mt -97.19 108.75 21.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.402 ' O ' ' N ' ' A' ' 15' ' ' GLY . 77.0 p -116.17 174.57 5.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.408 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.532 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -40.34 -55.69 2.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.152 . . . . 0.0 109.292 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.14 -45.62 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -74.91 -33.43 55.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.469 1.105 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.667 HG21 ' HB ' ' A' ' 85' ' ' ILE . 50.3 mt -65.59 -53.99 33.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -52.46 -61.29 2.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.434 1.084 . . . . 0.0 110.28 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.12 -42.26 8.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 31.9 mmt180 -66.56 -43.15 85.82 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.71 HG21 ' CG2' ' A' ' 82' ' ' VAL . 4.6 t -54.41 -50.47 57.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -68.5 -44.8 73.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.229 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -55.67 -50.61 69.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG2' ' HG3' ' A' ' 62' ' ' GLU . 24.5 t -62.22 -45.35 98.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.392 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.767 ' CB ' HD11 ' A' ' 35' ' ' LEU . 61.8 mt -61.61 -34.05 74.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.389 1.056 . . . . 0.0 109.268 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HG3' HD13 ' A' ' 35' ' ' LEU . 2.8 mttp -68.52 -40.25 80.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.19 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 17.0 mt -50.24 -32.7 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.482 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.0 OUTLIER -78.44 106.66 10.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 111.065 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -53.99 -33.63 57.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.277 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 10.5 mttp -58.83 -26.59 64.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.285 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.552 HD13 HD22 ' A' ' 24' ' ' LEU . 77.6 mt -101.9 111.86 33.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.368 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.06 135.52 70.18 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.811 1.291 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -46.08 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.3 -17.76 8.66 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -104.93 -41.49 5.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.767 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.7 tt -42.06 119.27 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.69 144.02 39.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.943 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.8 p -55.41 -22.3 11.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.5 p-10 -126.95 56.48 1.5 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.466 1.103 . . . . 0.0 109.242 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.78 145.08 50.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.946 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.491 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 16.1 t-80 -88.49 144.04 26.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.59 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.514 ' CD1' HD12 ' A' ' 45' ' ' LEU . 16.8 m-30 -88.2 -3.12 58.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 111.032 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.491 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mtt -118.61 -35.46 3.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -86.37 -69.97 0.64 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.137 . . . . 0.0 109.287 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.47 -83.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.514 HD12 ' CD1' ' A' ' 41' ' ' PHE . 29.2 mt -41.22 -57.97 1.94 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 1.174 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.71 46.47 4.86 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.519 HD11 HG12 ' A' ' 30' ' ' ILE . 2.2 mt -96.72 -176.12 3.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 0.764 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.564 ' HB3' HD22 ' A' ' 50' ' ' LEU . 2.7 m-20 -113.94 171.99 7.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -60.97 -46.38 90.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.586 1.179 . . . . 0.0 110.074 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.875 ' O ' HG12 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -49.85 -36.21 26.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.269 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -77.95 -26.32 48.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.078 . . . . 0.0 109.337 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 49' ' ' SER . 7.4 tm0? -71.44 -34.93 70.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.162 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.875 HG12 ' O ' ' A' ' 50' ' ' LEU . 7.5 p -68.99 -27.52 35.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -37.08 29.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.593 HG23 HD21 ' A' ' 24' ' ' LEU . 31.8 mt -62.02 -51.91 66.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.224 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.2 mm -56.53 -59.89 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 mmt -43.9 -39.76 4.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.507 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -55.01 -45.36 75.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.166 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.43 ' HG3' HG21 ' A' ' 81' ' ' ILE . 22.4 mmt -70.83 -34.15 71.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.447 1.092 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.02 -20.79 65.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.489 1.118 . . . . 0.0 110.338 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -97.74 -52.95 3.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 109.257 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.525 ' OE1' ' CE1' ' A' ' 63' ' ' PHE . 7.2 tm-20 -53.5 -32.43 50.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.546 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 25.3 m-85 -105.7 -24.57 12.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.57 52.7 8.1 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.465 1.103 . . . . 0.0 110.983 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 15.8 m-85 -121.12 -176.63 3.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 111.035 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -135.4 86.33 2.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -89.99 125.09 61.76 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.77 1.272 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 170.6 16.19 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.607 2.205 . . . . 0.0 112.322 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.11 -24.52 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.424 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.33 -25.57 33.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' CB ' HG23 ' A' ' 67' ' ' ILE . 0.8 OUTLIER -94.76 -50.23 5.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 109.254 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -48.19 -32.56 7.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.14 . . . . 0.0 109.349 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -77.35 -32.2 54.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.31 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -80.62 -11.73 59.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.35 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.1 mt -94.58 111.2 22.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.459 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 11.6 mmt -131.93 17.06 4.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.588 1.18 . . . . 0.0 111.008 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -157.51 159.62 30.67 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-O 122.84 1.305 . . . . 0.0 108.174 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.463 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.77 -42.27 3.54 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.621 2.214 . . . . 0.0 112.292 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -61.27 -35.8 78.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.439 1.087 . . . . 0.0 110.365 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.9 -43.48 91.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.442 ' O ' ' N ' ' A' ' 84' ' ' TYR . 16.0 mt -63.18 -54.54 31.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.065 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.71 ' CG2' HG21 ' A' ' 20' ' ' VAL . 94.7 t -42.83 -44.09 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.234 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -54.15 -45.55 72.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.522 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.1 t80 -65.36 -32.07 73.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.585 1.178 . . . . 0.0 111.001 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.667 ' HB ' HG21 ' A' ' 16' ' ' ILE . 17.4 mm -75.18 -62.92 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.532 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.54 -41.58 1.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -53.84 -50.67 65.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.246 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 85' ' ' ILE . 3.0 mmtp -59.11 -40.0 84.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.378 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.08 68.06 0.43 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -176.83 156.63 1.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.597 HG21 HD12 ' A' ' 11' ' ' LEU . 5.6 p -151.31 37.29 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 39.4 p90 -74.76 -0.73 19.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -40.86 144.65 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 110.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.7 p -153.49 162.58 41.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.8 151.91 22.18 Favored Glycine 0 CA--C 1.53 1.03 0 CA-C-O 122.777 1.209 . . . . 0.0 111.003 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -49.61 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.722 2.282 . . . . 0.0 112.371 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.3 t 179.79 170.75 1.1 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 110.013 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 94.9 p -153.3 93.14 1.68 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.076 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.437 1.086 . . . . 0.0 111.008 -179.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 m 62.54 154.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 0.756 . . . . 0.0 110.011 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m 64.24 154.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 1.081 . . . . 0.0 109.963 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.8 -150.47 18.55 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.414 1.071 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.87 170.44 8.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.446 0.733 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -144.08 -58.08 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.117 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.68 -160.8 13.59 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.25 70.93 27.57 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.758 1.265 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 10' ' ' PRO . 65.1 Cg_exo -48.03 173.78 0.03 OUTLIER 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.402 ' O ' ' O ' ' A' ' 9' ' ' PRO . 66.9 Cg_exo -48.08 180.0 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.632 2.221 . . . . 0.0 112.332 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' C ' HG23 ' A' ' 12' ' ' THR . 1.2 mp -100.32 118.89 37.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.329 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 15' ' ' GLY . 76.0 p -151.49 174.51 13.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.516 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -40.81 -50.99 3.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.391 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.61 -43.36 25.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -76.18 -34.31 46.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.507 1.129 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.724 HG21 ' HB ' ' A' ' 85' ' ' ILE . 65.2 mt -63.99 -54.59 29.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.529 0.782 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -50.29 -64.56 0.77 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.294 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -45.38 -46.3 13.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -60.8 -47.93 84.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.684 HG12 HD23 ' A' ' 21' ' ' LEU . 13.0 t -50.64 -54.75 8.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.7 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -66.74 -52.78 40.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -48.06 -53.68 15.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.977 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 35.9 t -57.42 -41.97 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.422 1.076 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.891 HD21 HG23 ' A' ' 55' ' ' ILE . 72.2 mt -65.31 -42.32 93.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.596 1.185 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' C ' ' N ' ' A' ' 27' ' ' TYR . 29.1 mttt -57.53 -43.75 84.6 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 1.099 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.62 HD12 ' HA ' ' A' ' 23' ' ' VAL . 87.9 mt -44.39 -27.1 0.4 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.408 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.7 t80 -86.34 101.1 12.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 111.018 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -50.72 -39.1 50.76 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.3 OUTLIER -50.85 -28.62 9.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.888 HG12 HD11 ' A' ' 47' ' ' LEU . 56.2 mt -103.6 127.37 57.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.496 1.123 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -95.89 135.29 22.96 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.828 1.299 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -46.69 1.14 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -29.97 11.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 110.259 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LEU . 16.4 mttm -91.92 -51.65 5.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.842 HD23 ' N ' ' A' ' 36' ' ' SER . 4.5 tt -40.31 152.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.842 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -163.8 129.5 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.469 HG22 ' HB2' ' A' ' 79' ' ' GLN . 8.4 p -39.95 -30.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.432 1.083 . . . . 0.0 109.24 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.417 ' N ' ' C ' ' A' ' 36' ' ' SER . 41.9 m-20 -120.62 60.01 0.9 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.46 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -139.49 141.64 37.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.446 ' ND1' ' N ' ' A' ' 42' ' ' MET . 62.2 t-80 -75.59 173.98 10.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.583 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.879 ' HA ' HD12 ' A' ' 45' ' ' LEU . 69.1 m-85 -103.79 10.36 36.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.446 ' N ' ' ND1' ' A' ' 40' ' ' HIS . 62.2 mtt -144.65 -44.81 0.24 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.115 . . . . 0.0 111.012 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.456 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -52.47 -49.76 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 3.8 t70 -108.51 -65.64 1.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 41' ' ' PHE . 88.6 mt -42.37 -77.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 104.73 57.08 0.7 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.888 HD11 HG12 ' A' ' 30' ' ' ILE . 20.4 mt -109.04 -171.47 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -128.7 165.57 20.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 p -53.84 -39.7 65.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.072 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.8 mt -53.09 -28.42 25.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.664 ' OD2' HD22 ' A' ' 47' ' ' LEU . 3.3 m-20 -87.67 -24.74 23.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.574 1.172 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 35.4 tp60 -64.81 -35.68 81.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 1.08 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -69.35 -32.51 53.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.81 -56.43 4.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.891 HG23 HD21 ' A' ' 24' ' ' LEU . 5.8 mt -44.46 -54.25 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.422 HG13 ' HB1' ' A' ' 72' ' ' ALA . 25.3 mm -56.11 -54.97 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.9 mmm -49.07 -27.47 3.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.977 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -66.99 -40.75 87.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.408 1.068 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.408 ' HG3' HG21 ' A' ' 81' ' ' ILE . 14.2 mmt -79.95 -22.06 43.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.968 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -78.82 -20.55 49.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -96.82 -44.78 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.533 1.145 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.36 -43.85 96.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.56 ' CZ ' HG23 ' A' ' 16' ' ' ILE . 68.1 m-85 -103.69 11.06 36.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.9 58.5 1.51 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.566 1.166 . . . . 0.0 111.019 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.4 m-85 -116.18 -175.37 2.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.553 0.796 . . . . 0.0 110.996 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -138.36 84.48 2.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.292 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.519 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 7.9 mt -89.52 121.52 69.15 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.836 1.303 . . . . 0.0 109.344 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 162.45 41.99 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.726 2.284 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.83 -24.69 67.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -67.3 -25.15 32.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.4 OUTLIER -96.48 -51.54 4.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -47.08 -32.81 4.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.457 ' O ' ' HE2' ' A' ' 76' ' ' MET . 21.5 pt-20 -75.44 -35.14 60.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -76.42 -17.8 59.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.524 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 34.8 mt -90.0 114.71 26.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 1.077 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.457 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 6.3 mmt -132.49 19.67 4.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.59 1.181 . . . . 0.0 110.942 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -163.27 159.17 18.22 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.764 1.269 . . . . 0.0 108.267 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.453 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.5 Cg_endo -69.8 -40.74 4.91 Favored 'Trans proline' 0 N--CA 1.465 -0.174 0 C-N-CA 122.718 2.279 . . . . 0.0 112.375 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.469 ' HB2' HG22 ' A' ' 37' ' ' VAL . 5.0 tp60 -60.01 -38.96 84.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -34.16 71.85 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 78' ' ' PRO . 22.3 mt -72.94 -51.89 24.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.674 ' CG2' HG21 ' A' ' 20' ' ' VAL . 93.1 t -44.6 -40.86 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.87 -42.41 99.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.386 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 31.7 t80 -64.24 -34.82 78.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.1 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.724 ' HB ' HG21 ' A' ' 16' ' ' ILE . 19.6 mm -74.58 -61.9 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.516 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.55 -56.76 2.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -48.72 -55.54 11.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -52.36 -36.77 54.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.413 1.071 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.5 69.1 0.35 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 109.228 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.8 119.71 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.0 p -139.25 33.15 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -108.66 44.99 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.96 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 72.55 -58.41 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.345 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.5 t -159.56 -52.77 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 110.03 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 104.85 148.24 17.66 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-O 122.756 1.198 . . . . 0.0 111.076 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 179.58 3.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.708 2.272 . . . . 0.0 112.405 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.4 -65.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.9 t 54.21 97.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.114 . . . . 0.0 109.981 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -161.25 116.45 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 0.786 . . . . 0.0 110.005 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -171.21 138.36 1.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.049 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.5 -169.73 12.37 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.448 1.092 . . . . 0.0 110.963 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -89.85 136.96 32.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 0.743 . . . . 0.0 109.989 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -179.22 94.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.146 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.36 69.88 0.05 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.501 1.126 . . . . 0.0 110.949 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.5 ptt? -111.59 151.2 43.17 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.861 1.315 . . . . 0.0 110.962 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -48.03 152.9 3.01 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.633 2.222 . . . . 0.0 112.347 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -48.01 152.41 3.31 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.621 2.214 . . . . 0.0 112.321 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 15' ' ' GLY . 4.2 mt -88.98 93.16 9.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 11' ' ' LEU . 22.1 p 46.16 -166.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 110.389 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.64 HD11 ' HB1' ' A' ' 86' ' ' ALA . 0.2 OUTLIER -47.62 -49.72 26.31 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.44 1.088 . . . . 0.0 109.35 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.23 -21.47 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -86.17 -23.96 42.56 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.699 HG21 ' HB ' ' A' ' 85' ' ' ILE . 40.1 mt -72.23 -56.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 0.784 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -51.87 -65.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -41.35 -48.11 3.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -59.88 -51.7 68.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.668 HG12 HD23 ' A' ' 21' ' ' LEU . 4.0 t -46.86 -49.41 6.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.721 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -70.44 -53.91 14.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 109.354 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -44.43 -52.97 7.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 111.031 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.535 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 50.5 t -58.63 -44.05 88.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 ' CB ' HD11 ' A' ' 35' ' ' LEU . 49.1 mt -62.52 -42.79 99.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.415 1.072 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' C ' ' N ' ' A' ' 27' ' ' TYR . 7.2 mttp -58.2 -45.44 87.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.583 1.177 . . . . 0.0 109.221 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.1 mt -45.21 -26.57 0.5 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.45 ' HB3' HD12 ' A' ' 30' ' ' ILE . 2.2 t80 -86.37 97.52 10.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.52 -50.73 5.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.424 1.078 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -40.51 -39.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.528 HD11 HD11 ' A' ' 55' ' ' ILE . 14.2 mt -89.38 133.69 30.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.563 1.164 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -102.34 136.97 19.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-O 122.758 1.266 . . . . 0.0 109.338 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.62 0.89 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.699 2.266 . . . . 0.0 112.354 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.84 -16.21 38.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 35' ' ' LEU . 13.2 mttt -100.86 -49.76 4.05 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.927 HD23 ' N ' ' A' ' 36' ' ' SER . 5.3 tt -39.51 152.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.927 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -165.59 129.72 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.421 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.2 p -40.36 -29.98 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.444 ' N ' ' C ' ' A' ' 36' ' ' SER . 9.5 t-20 -118.98 58.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.555 1.159 . . . . 0.0 109.344 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.24 121.65 20.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 110.036 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 38.2 t-80 -66.88 151.17 48.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.594 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.85 ' HA ' HD12 ' A' ' 45' ' ' LEU . 87.7 m-85 -87.65 3.01 49.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.922 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.42 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 36.7 mtt -138.61 -44.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.77 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.04 -71.44 0.75 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' A' ' 41' ' ' PHE . 54.5 mt -54.56 -68.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.69 45.01 1.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.522 1.139 . . . . 0.0 111.044 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.414 HD11 ' CG1' ' A' ' 30' ' ' ILE . 11.6 mt -94.2 176.99 6.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -103.01 174.14 6.0 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.6 OUTLIER -63.43 -50.49 69.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.413 ' O ' HG12 ' A' ' 53' ' ' VAL . 11.9 mt -51.87 -23.62 5.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.717 ' O ' HD12 ' A' ' 55' ' ' ILE . 3.3 m-20 -89.06 -26.84 21.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 49' ' ' SER . 15.2 tm0? -79.26 -30.05 42.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 50' ' ' LEU . 8.9 p -73.71 -40.67 54.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.98 -49.78 66.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 110.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.717 HD12 ' O ' ' A' ' 51' ' ' ASP . 8.3 mt -47.73 -56.85 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.448 HG21 ' HB2' ' A' ' 72' ' ' ALA . 5.3 mm -51.7 -54.59 12.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.2 mmt -49.37 -32.52 11.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.582 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -63.3 -40.94 98.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 109.37 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 21.0 mmt -72.17 -28.61 63.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -69.29 -23.72 63.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -96.66 -49.29 5.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.461 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 12.2 tm-20 -52.09 -27.46 14.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.658 ' CD2' HD12 ' A' ' 85' ' ' ILE . 31.3 m-85 -114.65 -27.51 7.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.91 61.77 2.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.57 1.169 . . . . 0.0 111.006 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 17.0 m-85 -126.84 -174.74 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 110.994 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -133.31 84.9 2.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 30.3 mt -94.49 114.87 64.46 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-O 122.791 1.282 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.2 Cg_endo -69.77 163.78 37.0 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.648 2.232 . . . . 0.0 112.409 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.94 -25.43 68.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.438 1.086 . . . . 0.0 109.28 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -66.57 -23.74 31.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.599 1.187 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 74' ' ' LYS . 0.7 OUTLIER -96.16 -54.67 3.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.264 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB2' HG21 ' A' ' 56' ' ' ILE . . . -46.45 -37.21 7.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -65.86 -36.63 83.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.143 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.63 -12.23 60.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.372 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.4 mt -98.09 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.417 ' HB3' ' NE2' ' A' ' 40' ' ' HIS . 9.5 mmt -132.65 18.32 4.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.72 159.43 31.33 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.756 1.265 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.5 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.5 Cg_endo -69.76 -47.7 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.255 . . . . 0.0 112.313 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.421 ' HB2' HG22 ' A' ' 37' ' ' VAL . 2.0 tm0? -54.9 -37.12 65.93 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -44.19 86.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 110.244 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.5 HD12 ' HA ' ' A' ' 78' ' ' PRO . 10.6 mt -63.22 -53.57 44.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.59 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.7 t -42.52 -45.76 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.351 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -55.91 -43.93 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.413 1.071 . . . . 0.0 109.334 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.4 t80 -65.18 -31.73 73.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.699 ' HB ' HG21 ' A' ' 16' ' ' ILE . 6.6 mm -80.73 -62.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.64 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -40.14 -37.35 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -70.63 -50.55 35.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 7.0 mmtt -52.07 -30.73 27.22 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -71.98 -33.45 68.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -122.14 97.47 5.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.402 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.8 p -147.87 35.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -76.86 -0.36 23.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -49.67 30.91 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.47 1.106 . . . . 0.0 110.255 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.16 143.35 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.954 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -55.38 154.7 11.2 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 122.787 1.215 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 141.42 45.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.231 . . . . 0.0 112.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 87.6 p -127.24 129.06 47.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.936 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.57 92.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.963 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.53 1.144 . . . . 0.0 111.015 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t 56.97 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.772 . . . . 0.0 109.997 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.62 130.82 38.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.965 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.57 166.78 34.79 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.555 1.159 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.4 p -148.3 113.3 5.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.043 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.83 158.99 44.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.973 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.93 -122.13 0.05 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.551 1.157 . . . . 0.0 111.072 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mtt -135.07 84.92 35.51 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 122.727 1.251 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -47.95 170.25 0.06 OUTLIER 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.374 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_exo -47.9 157.79 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.371 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.9 mt -99.5 98.4 9.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.4 p -140.32 163.79 31.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.399 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.691 HD11 ' HB2' ' A' ' 86' ' ' ALA . 1.1 mm? -44.16 -47.59 9.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -42.56 -35.96 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 110.243 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -69.69 -41.5 74.5 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.556 1.16 . . . . 0.0 111.025 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.619 HD12 HD13 ' A' ' 13' ' ' LEU . 74.5 mt -57.19 -52.81 51.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.579 0.811 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 20' ' ' VAL . 6.5 tt0 -54.42 -66.67 0.36 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 110.304 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.69 -44.08 2.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.3 mmt-85 -63.09 -47.88 80.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.703 HG12 HD23 ' A' ' 21' ' ' LEU . 4.2 t -51.22 -46.77 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.703 HD23 HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -73.34 -51.32 17.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -47.95 -48.88 31.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.857 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 41.5 t -63.22 -42.95 98.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.719 HD21 HG23 ' A' ' 55' ' ' ILE . 75.5 mt -65.69 -30.4 71.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' LEU . 5.1 mttt -65.29 -42.14 93.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 74.6 mt -47.92 -30.1 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.1 t80 -80.84 98.9 8.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.104 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.01 -44.41 9.97 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -47.35 -37.29 10.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.45 HD11 HD11 ' A' ' 55' ' ' ILE . 33.2 mt -92.99 109.08 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.416 1.072 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.24 138.32 75.27 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-O 122.838 1.304 . . . . 0.0 109.253 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -45.25 1.64 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.704 2.269 . . . . 0.0 112.336 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -17.58 49.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 110.352 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.46 -42.11 6.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.683 HD11 ' HB2' ' A' ' 24' ' ' LEU . 4.1 tt -40.09 122.35 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.419 ' N ' HD23 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -140.49 139.75 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.018 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.532 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.3 p -50.4 -26.84 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -118.05 55.85 0.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.7 p -124.14 139.5 53.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.993 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 15.9 t-80 -89.58 152.0 21.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.631 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.678 ' HA ' HD12 ' A' ' 45' ' ' LEU . 71.2 m-85 -88.21 3.2 50.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.7 mtt -139.81 -48.75 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -55.17 -69.45 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.353 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -83.28 -71.89 0.48 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 41' ' ' PHE . 75.0 mt -40.01 -74.43 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.083 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.53 46.37 1.98 Allowed Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.488 1.117 . . . . 0.0 110.91 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mt -93.23 -170.87 2.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.488 0.758 . . . . 0.0 109.278 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -114.11 163.09 15.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.7 OUTLIER -57.48 -42.38 82.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.002 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.876 ' O ' HG12 ' A' ' 53' ' ' VAL . 4.2 mp -52.51 -33.91 47.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.128 . . . . 0.0 109.333 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' O ' HD12 ' A' ' 55' ' ' ILE . 6.1 m-20 -74.52 -22.95 58.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 6.1 tm0? -73.93 -38.98 64.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.404 1.065 . . . . 0.0 110.246 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.876 HG12 ' O ' ' A' ' 50' ' ' LEU . 9.3 p -65.71 -27.7 42.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.95 -47.07 12.17 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.719 HG23 HD21 ' A' ' 24' ' ' LEU . 10.1 mt -51.5 -47.99 35.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.62 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.4 mm -61.78 -52.31 62.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -26.59 8.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.857 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -68.44 -41.83 79.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.418 ' HG3' HG21 ' A' ' 81' ' ' ILE . 18.7 mmt -77.27 -23.13 51.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.62 ' OE2' HG22 ' A' ' 56' ' ' ILE . 38.8 mt-10 -76.7 -23.28 53.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -97.21 -48.01 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HG3' HG21 ' A' ' 23' ' ' VAL . 4.0 tm-20 -54.55 -41.86 70.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.43 1.081 . . . . 0.0 110.323 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.439 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 76.6 m-85 -109.77 15.29 22.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 63.56 0.86 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.537 1.148 . . . . 0.0 110.982 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 88' ' ' LYS . 4.5 m-85 -122.71 -178.21 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 0.725 . . . . 0.0 111.012 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -137.55 91.92 2.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.52 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 4.0 mt -97.85 119.48 62.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.752 1.263 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 166.13 28.7 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.62 -24.34 67.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -70.79 -25.32 26.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 70' ' ' ILE . 1.0 OUTLIER -101.21 -41.87 6.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.296 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.449 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.75 -22.79 64.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' HE2' ' A' ' 76' ' ' MET . 22.8 pt-20 -82.16 -33.4 29.55 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.92 -10.86 59.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.489 HD23 ' HB3' ' A' ' 80' ' ' GLU . 17.9 mt -96.85 116.25 28.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.45 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 5.9 mmt -133.12 7.94 4.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.03 161.15 33.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.846 1.307 . . . . 0.0 108.296 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.516 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.0 Cg_endo -69.82 -37.88 8.44 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.742 2.295 . . . . 0.0 112.28 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HB2' HG22 ' A' ' 37' ' ' VAL . 2.2 tp60 -64.78 -35.14 80.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.489 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.6 OUTLIER -61.15 -32.76 72.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.325 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.516 HD12 ' HA ' ' A' ' 78' ' ' PRO . 14.8 mt -74.14 -52.04 21.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.665 ' CG2' HG21 ' A' ' 20' ' ' VAL . 92.5 t -44.75 -40.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.259 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.72 -41.53 99.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 13.5 t80 -65.82 -33.34 75.63 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 9.6 mm -72.08 -61.82 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.691 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -39.93 -56.29 1.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.47 -50.24 53.08 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.289 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -60.68 -24.0 65.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 109.234 -179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 90' ' ' ASP . 2.6 tptt -79.82 -54.81 5.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.574 1.171 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 89' ' ' LYS . 11.7 t0 -61.06 151.18 31.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.254 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 9.3 p -107.69 33.29 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.86 36.13 1.88 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -143.1 140.03 30.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.433 1.083 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -139.35 116.46 11.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 110.087 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -173.39 127.82 1.41 Allowed Glycine 0 CA--C 1.53 1.006 0 CA-C-O 122.814 1.23 . . . . 0.0 110.992 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.437 ' O ' ' N ' ' A' ' 98' ' ' SER . 53.4 Cg_endo -69.81 58.05 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.652 2.234 . . . . 0.0 112.307 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 98' ' ' SER . 0.6 OUTLIER 60.28 -83.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.953 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.478 ' CB ' ' O ' ' A' ' 97' ' ' SER . 0.4 OUTLIER 83.36 144.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.998 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -145.77 144.79 30.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.31 164.33 38.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.046 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.62 -96.91 1.23 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 110.953 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.6 t -107.66 92.78 4.21 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 0.733 . . . . 0.0 110.009 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.89 121.42 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 110.02 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.65 162.95 22.83 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.9 ptt? -118.98 142.06 31.31 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.778 1.275 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -47.98 164.03 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.411 ' C ' HD23 ' A' ' 11' ' ' LEU . 66.2 Cg_exo -48.07 178.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.72 2.28 . . . . 0.0 112.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 10' ' ' PRO . 3.9 mt -105.87 95.8 6.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 15' ' ' GLY . 32.0 p -139.21 167.07 22.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 110.417 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.544 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -41.7 -54.46 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.415 1.072 . . . . 0.0 109.321 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -46.98 -41.5 16.38 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -75.76 -41.27 29.12 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.514 1.134 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.585 HG21 ' HB ' ' A' ' 85' ' ' ILE . 33.8 mt -58.16 -56.12 17.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.545 0.791 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -51.08 -63.1 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -43.71 -46.63 7.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -60.68 -51.99 67.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.112 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.758 HG21 ' CG2' ' A' ' 82' ' ' VAL . 17.4 t -44.01 -39.51 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.6 OUTLIER -76.7 -41.45 45.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.217 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -57.85 -55.26 37.19 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.52 1.137 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.516 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 69.7 t -57.64 -40.87 77.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.703 HD22 HD13 ' A' ' 30' ' ' ILE . 70.9 mt -68.14 -34.9 77.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 21' ' ' LEU . 2.4 mttt -64.08 -45.94 86.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.553 1.158 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.1 mt -50.42 -25.56 4.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 2.5 t80 -82.54 98.79 9.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 1.166 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.78 -40.64 9.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.591 1.182 . . . . 0.0 109.37 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -51.06 -37.53 46.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.703 HD13 HD22 ' A' ' 24' ' ' LEU . 29.9 mt -96.21 103.09 14.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -66.87 138.84 95.39 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.786 1.279 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -45.77 1.48 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 0.0 112.358 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -60.5 -14.66 20.85 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -106.69 -39.69 5.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.662 HD11 ' HB2' ' A' ' 24' ' ' LEU . 2.0 tt -40.52 122.55 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.39 143.86 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.0 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' CG2' ' CG ' ' A' ' 79' ' ' GLN . 2.6 p -54.31 -20.91 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -124.96 59.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 p -123.71 129.98 51.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.502 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 46.3 t-80 -74.79 146.4 42.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.599 1.187 . . . . 0.0 109.613 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.643 ' HE2' HG21 ' A' ' 55' ' ' ILE . 4.2 m-30 -83.81 8.02 16.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.428 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 29.0 mtt -144.86 -56.91 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 111.03 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -40.63 -62.98 0.7 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.38 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.641 HD12 ' HA ' ' A' ' 41' ' ' PHE . 82.0 mt -40.56 -56.4 2.09 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 79.45 44.01 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.9 mt -95.61 164.15 12.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 109.335 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -100.34 174.41 6.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 p -62.28 -50.12 72.95 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 109.948 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 53' ' ' VAL . 9.2 mt -51.73 -23.69 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.1 m-20 -88.95 -26.71 21.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 14.2 tm0? -78.68 -30.38 46.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 50' ' ' LEU . 8.4 p -73.01 -39.24 57.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -44.87 75.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.251 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.643 HG21 ' HE2' ' A' ' 41' ' ' PHE . 13.1 mt -51.66 -54.2 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.241 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.447 HG13 ' HB1' ' A' ' 72' ' ' ALA . 14.8 mm -49.89 -62.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -40.28 -43.47 1.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 111.025 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -52.38 -47.17 66.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ILE . 17.4 mmt -67.41 -37.74 83.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -61.96 -19.2 62.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -98.94 -53.21 3.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -52.81 -37.13 59.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.249 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 48.6 m-85 -104.26 -13.05 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 63.16 52.84 44.4 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.471 1.107 . . . . 0.0 111.041 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.656 ' HE2' HG23 ' A' ' 85' ' ' ILE . 10.3 m-85 -117.82 178.57 4.36 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 111.001 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.04 85.67 2.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.523 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 5.8 mt -93.22 121.79 64.64 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.805 1.288 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.66 30.17 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.743 2.295 . . . . 0.0 112.295 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -24.6 67.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.403 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -68.71 -25.22 30.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.395 1.059 . . . . 0.0 109.239 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.481 ' CB ' HG23 ' A' ' 67' ' ' ILE . 0.5 OUTLIER -97.23 -46.95 5.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -53.23 -28.1 25.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.43 ' O ' ' HE2' ' A' ' 76' ' ' MET . 9.4 pt-20 -77.11 -34.53 56.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -11.13 59.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 72' ' ' ALA . 17.9 mt -95.36 117.75 30.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.538 ' O ' ' CD1' ' A' ' 41' ' ' PHE . 17.2 mmt -124.63 -38.76 2.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.981 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.433 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -104.83 165.2 13.68 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 122.755 1.264 . . . . 0.0 108.328 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.473 ' HB3' ' CD1' ' A' ' 24' ' ' LEU . 53.5 Cg_endo -69.83 -39.04 6.84 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.651 2.234 . . . . 0.0 112.312 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.462 ' CG ' ' CG2' ' A' ' 37' ' ' VAL . 1.1 tm0? -67.06 -28.68 68.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.267 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -38.31 89.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.431 1.082 . . . . 0.0 110.331 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.4 mt -69.37 -50.6 50.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.462 1.101 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.758 ' CG2' HG21 ' A' ' 20' ' ' VAL . 94.4 t -45.16 -43.77 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.428 1.08 . . . . 0.0 109.223 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -46.77 65.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.241 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.523 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 26.0 t80 -65.78 -37.6 86.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 111.046 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.656 HG23 ' HE2' ' A' ' 65' ' ' PHE . 31.4 mm -66.19 -61.99 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.525 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -39.3 -57.13 1.42 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -44.59 -53.66 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mmtt -53.81 -39.65 65.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.261 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.88 67.98 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -42.66 111.89 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.429 ' O ' HG13 ' A' ' 91' ' ' VAL . 9.6 p -131.33 37.18 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -87.35 41.67 0.99 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.417 1.073 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -88.17 94.91 9.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.419 1.074 . . . . 0.0 110.312 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.61 127.02 1.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.087 . . . . 0.0 109.987 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -70.52 165.68 51.88 Favored Glycine 0 CA--C 1.53 1.0 0 CA-C-O 122.768 1.205 . . . . 0.0 111.045 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.85 133.47 25.47 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.644 2.23 . . . . 0.0 112.297 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 66.9 m -61.12 148.81 39.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.438 1.086 . . . . 0.0 109.985 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 55.86 100.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.999 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.63 80.06 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 0.73 . . . . 0.0 109.959 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -144.27 89.04 1.98 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.79 142.65 8.75 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.525 1.141 . . . . 0.0 111.06 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 t -123.04 100.59 6.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.745 . . . . 0.0 109.936 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -127.8 128.49 45.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.397 1.061 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.93 119.37 4.09 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.426 1.079 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttt -126.63 83.35 65.11 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 122.83 1.3 . . . . 0.0 111.0 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.3 Cg_exo -47.98 156.05 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.688 2.259 . . . . 0.0 112.289 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.93 -179.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp -99.21 118.27 35.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.25 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 76.0 p -134.08 168.34 19.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.423 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.703 HD13 HD12 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -49.21 -41.92 38.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 109.332 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -50.48 -23.69 2.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -84.81 -31.9 22.71 Favored Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.703 HD12 HD13 ' A' ' 13' ' ' LEU . 49.0 mt -67.7 -56.17 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.54 0.788 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -49.69 -64.77 0.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 110.293 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -41.94 -49.95 4.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.7 mmt-85 -59.22 -52.78 64.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.697 HG21 ' CG2' ' A' ' 82' ' ' VAL . 24.0 t -43.66 -49.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.686 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -73.56 -57.0 4.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -38.84 -53.85 1.67 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HA ' HD12 ' A' ' 26' ' ' LEU . 83.8 t -59.22 -51.38 73.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.623 HD22 HD13 ' A' ' 30' ' ' ILE . 75.1 mt -54.98 -34.2 63.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -69.01 -42.41 76.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.568 1.167 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.767 HD12 ' HA ' ' A' ' 23' ' ' VAL . 37.1 mt -50.93 -31.04 16.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.02 104.36 10.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.149 . . . . 0.0 110.945 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -52.4 -37.44 56.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 1.3 mtpt -53.44 -32.11 48.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.623 HD13 HD22 ' A' ' 24' ' ' LEU . 59.7 mt -96.25 141.29 15.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 109.265 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 137.32 19.19 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-O 122.817 1.294 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.331 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.28 -37.76 72.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -81.36 -43.33 19.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.835 HD12 ' H ' ' A' ' 36' ' ' SER . 1.4 tp -48.61 154.11 0.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.835 ' H ' HD12 ' A' ' 35' ' ' LEU . 2.1 m -174.95 144.74 0.79 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.998 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.425 HG22 ' HB2' ' A' ' 79' ' ' GLN . 4.2 p -47.4 -25.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.272 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' N ' ' C ' ' A' ' 36' ' ' SER . 3.0 m-80 -129.88 65.29 1.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.11 117.25 12.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.992 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.26 168.48 1.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.636 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.806 ' HA ' HD12 ' A' ' 45' ' ' LEU . 11.7 m-30 -103.09 11.39 37.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 46.5 mtt -143.66 -47.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.971 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 1.8 pttt -55.26 -50.71 68.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.452 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 22.0 t0 -100.14 -64.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.806 HD12 ' HA ' ' A' ' 41' ' ' PHE . 80.5 mt -50.53 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 108.13 40.13 1.72 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.42 1.075 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.568 HD11 HG12 ' A' ' 30' ' ' ILE . 4.7 mt -94.03 -170.01 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.72 174.05 9.04 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 15.5 p -62.26 -41.57 98.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 63.4 mt -50.69 -27.06 6.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.539 ' OD2' HD22 ' A' ' 47' ' ' LEU . 11.7 m-20 -87.67 -27.71 22.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 33.9 tp60 -62.15 -37.4 85.07 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 110.341 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.77 -37.05 77.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.562 1.164 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -49.3 49.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 0.0 110.338 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 15.5 mt -52.54 -62.28 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.263 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.509 HG13 ' HB1' ' A' ' 72' ' ' ALA . 10.3 mm -50.64 -57.6 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.4 mmt -41.84 -39.63 1.85 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.611 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -59.29 -46.65 87.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.502 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 16.1 mmt -66.46 -34.98 79.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 111.02 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -61.76 -18.39 59.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.287 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -99.45 -52.88 3.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.47 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 2.2 mm-40 -52.52 -31.4 35.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.563 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 37.3 m-85 -108.15 -22.18 12.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.65 58.91 5.99 Favored Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.676 ' CZ ' ' CB ' ' A' ' 88' ' ' LYS . 14.0 m-85 -126.0 -176.11 3.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 0.797 . . . . 0.0 111.0 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -132.15 84.71 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.532 HG23 ' HB3' ' A' ' 71' ' ' ASP . 9.1 mt -92.74 116.92 67.29 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.844 1.307 . . . . 0.0 109.326 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.73 161.65 45.09 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.697 2.265 . . . . 0.0 112.35 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.39 -24.83 65.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.7 OUTLIER -68.32 -25.36 31.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.532 ' HB3' HG23 ' A' ' 67' ' ' ILE . 1.3 m-20 -96.5 -52.15 4.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.509 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -49.76 -30.5 9.6 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.612 1.195 . . . . 0.0 109.306 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.497 ' O ' ' HE2' ' A' ' 76' ' ' MET . 18.9 pt-20 -76.4 -29.97 57.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 110.338 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -78.29 -14.98 59.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.455 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 22.2 mt -92.38 116.88 29.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.497 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 25.9 mmt -119.02 -26.55 5.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.4 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.5 OUTLIER -121.34 163.22 31.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.774 1.273 . . . . 0.0 108.371 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.422 ' HB2' ' CG1' ' A' ' 20' ' ' VAL . 53.6 Cg_endo -69.82 -39.84 5.93 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.425 ' HB2' HG22 ' A' ' 37' ' ' VAL . 4.3 tp60 -54.19 -48.86 70.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.444 1.09 . . . . 0.0 110.319 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.437 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.2 OUTLIER -48.8 -41.13 31.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.293 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.418 ' O ' ' HB3' ' A' ' 84' ' ' TYR . 56.0 mt -64.45 -47.85 87.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.084 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.697 ' CG2' HG21 ' A' ' 20' ' ' VAL . 93.9 t -52.81 -40.07 33.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.237 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -43.52 98.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.578 1.174 . . . . 0.0 109.265 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.6 t80 -61.72 -61.18 2.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 111.009 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.604 ' HB ' HG21 ' A' ' 16' ' ' ILE . 27.4 mm -39.33 -58.89 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB2' HD21 ' A' ' 13' ' ' LEU . . . -39.75 -55.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -42.49 -53.71 4.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.229 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.676 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 5.8 mmtt -55.21 -40.06 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 86' ' ' ALA . 4.8 tmtt? 42.34 66.58 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -66.2 113.03 4.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.346 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 91' ' ' VAL . 8.4 p -143.87 36.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -88.16 41.01 0.98 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -100.78 150.63 22.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.9 m -136.9 -59.96 0.7 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 166.66 -174.1 42.05 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-O 122.787 1.215 . . . . 0.0 111.039 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.83 140.43 42.39 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.367 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.7 m -111.43 84.9 2.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.041 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 m 62.55 152.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.093 0 O-C-N 124.456 1.098 . . . . 0.0 110.987 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.96 81.82 1.7 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 0.786 . . . . 0.0 109.99 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -160.01 167.01 28.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.048 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.05 140.72 12.02 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.4 1.062 . . . . 0.0 111.008 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -142.77 163.97 31.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 0.772 . . . . 0.0 110.027 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -146.23 88.52 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.582 1.176 . . . . 0.0 110.003 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.37 -107.07 0.52 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.7 ptp -165.52 149.65 7.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.753 1.263 . . . . 0.0 111.058 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_exo -47.96 152.52 3.18 Favored 'Trans proline' 0 N--CA 1.465 -0.168 0 C-N-CA 122.69 2.26 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -48.01 173.93 0.03 OUTLIER 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.655 2.237 . . . . 0.0 112.36 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mt -102.34 104.55 15.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.5 p -132.05 164.99 25.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.402 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -41.72 -46.92 3.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -48.83 -51.83 27.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -71.04 -37.15 64.22 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.566 HG21 ' HB ' ' A' ' 85' ' ' ILE . 94.2 mt -57.21 -57.56 9.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 109.345 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' VAL . 5.5 tt0 -54.5 -66.31 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -40.02 -46.6 2.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.213 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 72.4 mmt-85 -60.2 -48.26 82.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.648 HG21 ' CG2' ' A' ' 82' ' ' VAL . 18.8 t -51.68 -39.19 23.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 21' ' ' LEU . 1.1 mt -78.67 -48.58 14.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.344 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -52.12 -46.8 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 110.997 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.597 HG21 ' HG2' ' A' ' 62' ' ' GLU . 56.2 t -67.47 -48.29 77.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.395 1.059 . . . . 0.0 109.331 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.851 ' CB ' HD11 ' A' ' 35' ' ' LEU . 38.8 mt -58.3 -27.21 63.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.602 1.189 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' N ' ' A' ' 27' ' ' TYR . 5.7 mttt -72.06 -45.92 58.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 32.8 mt -43.5 -27.82 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.4 t80 -82.77 97.47 8.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 111.06 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -45.66 -42.83 11.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -48.94 -37.85 21.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 55' ' ' ILE . 13.2 mt -92.29 108.2 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.5 138.43 93.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.772 1.273 . . . . 0.0 109.355 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -46.4 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.691 2.261 . . . . 0.0 112.374 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -19.73 57.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.279 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 mmtt -97.62 -42.01 7.86 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.851 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -43.05 104.7 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.41 136.54 41.48 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.465 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 1.1 m -45.44 -40.16 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.338 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -101.95 51.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.233 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.47 118.53 19.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -70.37 146.48 50.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.603 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.563 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 14.9 m-85 -84.55 -4.71 59.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.26 -47.63 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 111.018 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 9.7 mtpp -69.91 -60.92 2.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.32 -85.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.4 mt -42.11 -74.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.327 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.6 57.37 0.83 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.531 HD11 HG12 ' A' ' 30' ' ' ILE . 7.8 mt -100.26 -170.67 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.579 0.811 . . . . 0.0 109.363 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -119.32 155.6 31.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -51.5 -45.06 62.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.985 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.9 mt -49.43 -33.47 14.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -86.63 -26.56 24.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' SER . 8.4 tm0? -64.71 -46.22 83.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.304 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.09 -31.66 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.247 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.5 -51.55 16.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.736 HG23 HD21 ' A' ' 24' ' ' LEU . 8.8 mt -45.87 -43.07 4.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 72' ' ' ALA . 13.0 mm -64.94 -59.07 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.398 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.9 mtt -40.74 -52.31 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -44.96 -52.53 8.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.0 mmt -60.48 -35.2 75.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' OE2' HG22 ' A' ' 56' ' ' ILE . 36.8 mt-10 -66.25 -21.88 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -99.31 -50.92 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.099 . . . . 0.0 109.265 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.597 ' HG2' HG21 ' A' ' 23' ' ' VAL . 25.9 tp10 -52.02 -29.26 20.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.669 ' CD2' HD12 ' A' ' 85' ' ' ILE . 35.1 m-85 -112.4 -25.0 9.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 77.99 73.47 1.08 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.0 m-85 -139.96 -177.34 4.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 0.739 . . . . 0.0 111.05 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -134.22 80.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.523 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 9.6 mt -91.08 117.77 68.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.815 1.293 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 166.69 26.69 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.367 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.69 -24.5 66.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.372 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.419 HG13 ' N ' ' A' ' 71' ' ' ASP . 2.1 pt -65.6 -28.29 43.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.501 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -97.12 -54.22 3.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.584 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -46.69 -35.7 6.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.143 . . . . 0.0 109.296 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -69.06 -36.22 77.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 110.235 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -72.85 -13.5 61.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 72' ' ' ALA . 16.2 mt -94.97 116.42 28.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.7 mmt -127.27 5.14 6.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.949 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -145.18 161.13 43.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 122.793 1.282 . . . . 0.0 108.324 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.76 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.1 Cg_endo -69.77 -50.27 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -54.3 -37.6 64.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 110.338 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -37.35 69.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 78' ' ' PRO . 7.3 mt -69.31 -51.69 40.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.102 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.648 ' CG2' HG21 ' A' ' 20' ' ' VAL . 76.0 t -43.25 -47.28 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -51.97 -45.09 64.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.088 . . . . 0.0 109.354 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.523 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -66.33 -31.43 72.21 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.669 HD12 ' CD2' ' A' ' 63' ' ' PHE . 5.2 mm -76.74 -59.22 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 89' ' ' LYS . . . -44.55 -53.07 7.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -47.68 -46.85 29.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 89' ' ' LYS . 6.1 mmtt -50.86 -31.26 16.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 39.77 68.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.7 116.94 29.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 91' ' ' VAL . 8.7 p -132.85 37.17 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -91.51 34.57 0.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 111.014 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 49.26 85.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.336 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.2 t -47.26 163.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.578 1.174 . . . . 0.0 109.987 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -168.45 -172.57 35.48 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 122.734 1.186 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 114.81 3.82 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.334 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.02 -58.65 6.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.608 1.193 . . . . 0.0 110.049 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 74.5 m -76.97 85.12 3.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.966 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.113 . . . . 0.0 110.935 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.51 166.51 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.434 0.726 . . . . 0.0 109.992 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t 65.9 83.32 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.964 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.46 86.68 0.18 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.414 1.071 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.4 p -136.65 145.98 45.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 0.758 . . . . 0.0 110.07 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.47 -59.32 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.484 1.115 . . . . 0.0 110.038 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.6 -130.18 3.57 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.481 1.113 . . . . 0.0 111.079 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 44.8 ttm -157.82 105.23 1.77 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.727 1.251 . . . . 0.0 110.981 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -47.93 165.93 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.739 2.293 . . . . 0.0 112.342 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.401 ' C ' HD23 ' A' ' 11' ' ' LEU . 64.6 Cg_exo -48.02 177.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.646 2.23 . . . . 0.0 112.375 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 10' ' ' PRO . 4.2 mt -104.99 105.82 16.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 68.1 p -131.94 157.96 42.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.38 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 86' ' ' ALA . 0.3 OUTLIER -43.44 -43.8 5.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.163 . . . . 0.0 109.375 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -39.54 -29.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.272 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.438 ' N ' ' C ' ' A' ' 13' ' ' LEU . . . -74.82 -61.82 2.99 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.715 HD12 HD22 ' A' ' 13' ' ' LEU . 15.6 mt -40.47 -54.9 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 0.78 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 9.7 tt0 -47.86 -65.2 0.6 Allowed 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.434 1.084 . . . . 0.0 110.347 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 17' ' ' GLN . 8.1 t0 -38.42 -60.77 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.333 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.422 ' C ' ' N ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -46.47 -58.01 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.301 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.738 HG21 ' CG2' ' A' ' 82' ' ' VAL . 50.7 t -39.85 -31.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.705 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.8 mt -89.88 -52.72 4.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -46.33 -40.15 11.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 110.983 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.719 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 48.5 t -74.97 -50.81 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.706 HD22 HD13 ' A' ' 30' ' ' ILE . 14.5 mt -52.21 -28.69 19.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' HD23 ' A' ' 35' ' ' LEU . 19.4 mttt -74.09 -46.74 41.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 50.0 mt -40.92 -36.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.441 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 0.6 OUTLIER -72.48 106.85 4.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.16 -20.78 43.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -70.31 -33.36 71.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.391 1.057 . . . . 0.0 109.24 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.706 HD13 HD22 ' A' ' 24' ' ' LEU . 51.2 mt -95.5 143.56 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.93 141.4 22.47 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 122.827 1.299 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -46.44 1.24 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.765 2.31 . . . . 0.0 112.29 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.19 -34.07 73.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -82.8 -40.95 19.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.427 1.079 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.705 HD21 ' HB3' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -50.47 146.97 4.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.553 ' N ' HD12 ' A' ' 35' ' ' LEU . 0.5 OUTLIER -170.31 143.62 2.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.435 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.4 p -48.92 -27.82 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -122.75 59.02 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.09 112.34 10.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.951 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 -59.06 167.5 1.65 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.14 . . . . 0.0 109.617 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.866 ' HA ' HD12 ' A' ' 45' ' ' LEU . 9.8 m-30 -99.0 6.88 46.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 48.3 mtt -139.9 -45.02 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.98 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 8.9 pttt -57.36 -51.24 70.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.454 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 6.6 t70 -99.51 -65.33 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.866 HD12 ' HA ' ' A' ' 41' ' ' PHE . 95.4 mt -49.76 -80.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 110.36 39.39 1.5 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.574 1.171 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.525 HD11 HG12 ' A' ' 30' ' ' ILE . 2.5 mt -95.0 -173.81 3.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 0.77 . . . . 0.0 109.244 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -122.35 170.81 9.56 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -60.9 -42.72 98.56 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.382 1.052 . . . . 0.0 109.942 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.2 mt -48.22 -33.69 8.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.259 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -86.02 -27.8 24.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.1 tm0? -62.75 -44.09 97.11 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.438 1.086 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.62 -31.28 48.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.084 . . . . 0.0 109.234 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.65 -46.29 39.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.365 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.507 ' CG2' HD21 ' A' ' 24' ' ' LEU . 10.2 mt -55.38 -47.77 77.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.078 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 59' ' ' MET . 11.1 mm -56.05 -60.37 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mmt -39.93 -45.03 1.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.719 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -51.65 -46.43 63.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.457 ' HG3' HD13 ' A' ' 81' ' ' ILE . 19.2 mmt -71.39 -25.3 62.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.432 1.083 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.433 ' CG ' HD12 ' A' ' 67' ' ' ILE . 42.4 mt-10 -73.35 -20.92 60.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -100.02 -49.74 4.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.513 ' OE2' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -52.47 -36.82 55.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.273 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.634 ' CD2' HD12 ' A' ' 85' ' ' ILE . 30.6 m-85 -105.44 -19.19 13.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 69.33 73.08 0.76 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.552 1.157 . . . . 0.0 111.044 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.553 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 16.5 m-85 -139.56 -172.26 3.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.57 0.806 . . . . 0.0 110.996 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -138.13 84.12 2.01 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 110.296 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.515 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 6.2 mt -89.35 118.64 69.29 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-O 122.794 1.283 . . . . 0.0 109.236 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 165.68 30.11 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 2.284 . . . . 0.0 112.343 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.26 -24.5 67.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.404 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -69.18 -24.63 28.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' HB3' HG23 ' A' ' 67' ' ' ILE . 2.0 m-20 -96.36 -50.32 4.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.446 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -50.21 -33.36 19.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' O ' ' HE3' ' A' ' 76' ' ' MET . 13.0 pt-20 -72.16 -32.87 67.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.095 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.2 -16.96 57.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 25.5 mt -90.59 120.1 31.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.565 1.166 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.484 ' HE3' ' O ' ' A' ' 73' ' ' GLU . 23.1 mmt -125.33 -38.94 2.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 111.034 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.431 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -105.84 164.97 13.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 122.816 1.293 . . . . 0.0 108.245 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.431 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.3 Cg_endo -69.75 -39.25 6.74 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.613 2.209 . . . . 0.0 112.351 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.435 ' HB2' HG22 ' A' ' 37' ' ' VAL . 1.6 tp60 -63.52 -31.5 72.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -60.16 -34.35 73.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.348 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.457 HD13 ' HG3' ' A' ' 59' ' ' MET . 55.9 mt -73.78 -50.74 27.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.738 ' CG2' HG21 ' A' ' 20' ' ' VAL . 89.3 t -43.5 -43.97 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.133 . . . . 0.0 109.227 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -56.45 -44.32 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.087 . . . . 0.0 109.225 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.515 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 38.8 t80 -64.79 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.634 HD12 ' CD2' ' A' ' 63' ' ' PHE . 16.5 mm -73.52 -59.56 3.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 109.325 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.734 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -39.68 -45.72 1.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -53.01 -50.81 63.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.111 . . . . 0.0 109.26 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.496 ' CB ' ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mmtt -59.38 -39.87 84.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.1 OUTLIER 40.32 51.66 2.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.367 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.5 t70 44.7 83.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 7.2 p -93.84 33.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.414 ' O ' ' N ' ' A' ' 94' ' ' SER . 2.7 m-85 -113.45 36.08 3.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.07 73.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.334 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 92' ' ' TYR . 0.4 OUTLIER 179.36 169.93 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.038 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.37 165.04 38.72 Favored Glycine 0 CA--C 1.53 1.021 0 CA-C-O 122.779 1.21 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -179.24 2.79 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.237 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.3 p -156.1 114.77 3.43 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.462 1.101 . . . . 0.0 109.931 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.7 t 39.49 90.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 109.951 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.444 1.09 . . . . 0.0 111.094 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.05 110.8 11.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 0.773 . . . . 0.0 109.981 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.76 144.57 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.016 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.45 88.06 0.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.466 1.104 . . . . 0.0 110.917 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -108.28 111.74 23.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 0.752 . . . . 0.0 110.001 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.5 p -160.06 104.86 1.52 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -38.85 143.11 0.34 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -158.91 87.6 2.21 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-O 122.837 1.304 . . . . 0.0 111.04 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_exo -47.9 163.93 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -47.94 178.91 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.681 2.254 . . . . 0.0 112.295 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mp -104.02 -168.55 1.51 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.8 p -149.4 167.71 25.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.419 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.615 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -47.6 -46.87 28.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 109.379 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -39.56 -31.81 0.11 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.05 -57.05 5.43 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.615 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.8 mt -42.89 -56.51 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' O ' ' HB ' ' A' ' 20' ' ' VAL . 8.2 tt0 -48.68 -67.28 0.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.408 ' O ' ' N ' ' A' ' 21' ' ' LEU . 3.4 t0 -42.16 -67.36 0.27 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' N ' ' HD2' ' A' ' 19' ' ' ARG . 5.2 mpt_? -39.05 -60.76 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.704 HG12 HD23 ' A' ' 21' ' ' LEU . 4.5 t -39.56 -44.72 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.819 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -77.42 -56.88 4.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -38.82 -47.89 1.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.998 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.578 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 29.0 t -63.06 -46.46 96.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.402 1.064 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 55' ' ' ILE . 59.3 mt -56.16 -41.46 75.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.8 mttt -61.06 -50.73 72.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.35 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.0 mt -41.71 -31.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -79.71 97.03 6.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.7 -36.31 11.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -52.16 -33.6 41.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.26 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.764 HD11 HD11 ' A' ' 55' ' ' ILE . 58.6 mt -102.96 134.09 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.416 1.073 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -89.32 138.32 28.74 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 122.812 1.292 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.85 -47.78 0.83 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.646 2.231 . . . . 0.0 112.368 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -25.6 68.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 21.7 mttp -88.81 -36.13 16.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.66 HD12 ' H ' ' A' ' 36' ' ' SER . 2.8 tp -57.59 156.67 7.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.66 ' H ' HD12 ' A' ' 35' ' ' LEU . 0.0 OUTLIER 174.41 146.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.973 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.426 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 0.9 OUTLIER -48.5 -41.52 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.532 1.145 . . . . 0.0 109.293 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -98.99 49.12 0.96 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.065 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.58 98.69 4.0 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.529 1.143 . . . . 0.0 110.005 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 25.9 t-80 -58.48 155.98 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.641 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 10.8 m-85 -90.8 -15.43 30.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.436 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.8 OUTLIER -122.21 -46.22 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 111.043 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 17.8 mttt -67.84 -13.52 62.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.74 -81.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.31 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.56 HD12 ' HA ' ' A' ' 41' ' ' PHE . 89.3 mt -43.66 -40.18 4.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.87 0.96 89.08 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.844 HD13 ' OD2' ' A' ' 51' ' ' ASP . 3.9 mt -50.13 157.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 0.734 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 56.6 p30 -96.74 164.78 12.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.4 OUTLIER -45.7 -39.88 8.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.912 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 45.4 mt -47.18 -33.37 5.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.844 ' OD2' HD13 ' A' ' 47' ' ' LEU . 8.1 t0 -79.59 -34.75 40.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.486 HE22 ' HB1' ' A' ' 72' ' ' ALA . 20.3 tm0? -57.32 -50.16 73.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.313 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 92.5 t -60.26 -46.88 94.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.31 -60.14 4.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.565 1.165 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.764 HD11 HD11 ' A' ' 30' ' ' ILE . 9.6 mt -45.58 -57.12 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.419 HG13 ' NE2' ' A' ' 52' ' ' GLN . 14.3 mm -49.2 -60.19 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.0 mtt -46.64 -39.68 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 55' ' ' ILE . . . -54.72 -44.14 73.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 18.7 mmt -72.04 -24.92 61.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.057 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.37 -22.69 59.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -99.57 -47.47 5.09 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.105 . . . . 0.0 109.27 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -53.19 -42.81 66.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.54 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 87.5 m-85 -109.71 11.5 24.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 44.17 65.95 1.49 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.464 1.103 . . . . 0.0 110.949 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.54 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 6.0 m-85 -123.75 -175.62 3.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 0.758 . . . . 0.0 111.024 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -144.79 82.61 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.097 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.563 HG12 ' CE1' ' A' ' 84' ' ' TYR . 8.4 mt -93.19 121.91 64.43 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.784 1.278 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.87 163.96 36.43 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.624 2.216 . . . . 0.0 112.335 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.09 -24.12 67.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.271 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.67 -25.46 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' N ' HG13 ' A' ' 70' ' ' ILE . 68.4 m-20 -96.28 -31.8 12.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.486 ' HB1' HE22 ' A' ' 52' ' ' GLN . . . -72.31 -37.68 68.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.281 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' O ' ' HE2' ' A' ' 76' ' ' MET . 20.1 pt-20 -59.0 -32.16 69.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -79.37 -26.51 42.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.391 1.057 . . . . 0.0 109.357 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.528 HD23 ' HB3' ' A' ' 80' ' ' GLU . 51.5 mt -83.02 115.61 21.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 0.0 109.262 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.401 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 7.2 mmt -133.57 16.45 3.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.1 OUTLIER -158.6 164.95 19.6 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 122.891 1.329 . . . . 0.0 108.214 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.663 ' HA ' HD12 ' A' ' 81' ' ' ILE . 52.6 Cg_endo -69.86 -49.6 0.53 Allowed 'Trans proline' 0 C--N 1.343 0.237 0 C-N-CA 122.623 2.216 . . . . 0.0 112.344 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -51.95 -49.3 63.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.528 ' HB3' HD23 ' A' ' 75' ' ' LEU . 4.0 mt-10 -45.54 -40.06 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 110.334 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.663 HD12 ' HA ' ' A' ' 78' ' ' PRO . 9.2 mt -68.1 -48.57 73.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 109.369 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.562 HG22 HG21 ' A' ' 20' ' ' VAL . 98.5 t -46.58 -44.93 6.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -63.55 -39.8 95.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.563 ' CE1' HG12 ' A' ' 67' ' ' ILE . 9.1 t80 -65.46 -36.74 84.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 86' ' ' ALA . 2.2 mm -71.75 -56.19 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 85' ' ' ILE . . . -39.75 -51.5 2.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.79 -53.6 56.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.118 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.484 ' HB3' ' CZ ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -54.65 -39.7 68.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.236 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.29 -38.08 73.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.24 104.96 4.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.477 ' O ' ' C ' ' A' ' 92' ' ' TYR . 3.9 p -137.23 15.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.477 ' C ' ' O ' ' A' ' 91' ' ' VAL . 5.7 m-85 30.65 87.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -123.53 146.78 47.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 21.6 t -143.77 81.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -123.65 -165.7 12.36 Favored Glycine 0 CA--C 1.53 0.981 0 CA-C-O 122.796 1.22 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 113.39 3.35 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.7 t -151.09 -47.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.965 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.08 126.54 36.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.91 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.561 1.163 . . . . 0.0 111.025 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.2 m -71.5 143.09 50.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 0.764 . . . . 0.0 110.006 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.1 t -156.63 83.61 0.97 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.31 126.71 2.13 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p -142.81 132.34 23.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 0.802 . . . . 0.0 110.03 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.42 111.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.45 104.55 0.36 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.587 1.179 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -97.23 144.71 28.37 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 122.789 1.281 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 10' ' ' PRO . 64.3 Cg_exo -47.93 155.18 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 9' ' ' PRO . 64.8 Cg_exo -47.85 -179.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.754 2.303 . . . . 0.0 112.376 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.36 95.56 8.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.0 p -125.62 155.66 40.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.78 HD11 ' HB2' ' A' ' 86' ' ' ALA . 0.6 OUTLIER -42.7 -45.83 4.86 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -38.56 -30.26 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -75.71 -54.33 5.47 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.579 HG21 ' HB ' ' A' ' 85' ' ' ILE . 57.7 mt -46.41 -58.09 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.559 0.8 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.21 -61.05 1.94 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.252 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -42.74 -54.77 3.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' CD ' ' O ' ' A' ' 15' ' ' GLY . 10.2 mpt_? -51.59 -56.52 13.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.723 HG21 ' CG2' ' A' ' 82' ' ' VAL . 9.4 t -42.52 -40.13 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.295 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.8 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.5 OUTLIER -79.25 -60.7 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -42.55 -45.39 4.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.9 t -65.72 -48.23 83.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.322 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.794 HD21 HG23 ' A' ' 55' ' ' ILE . 51.1 mt -60.72 -30.85 70.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.426 ' HG3' HD13 ' A' ' 35' ' ' LEU . 8.0 mttt -65.66 -49.99 66.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 18.2 mt -41.6 -33.57 0.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.4 t80 -76.29 100.56 5.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.27 -36.48 14.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.304 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.557 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 13.9 mtpt -54.73 -36.5 64.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.376 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 1.038 HD11 HD11 ' A' ' 55' ' ' ILE . 24.1 mt -93.17 115.15 31.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.83 137.18 66.32 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 122.84 1.305 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 -46.54 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -15.9 13.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.306 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -105.4 -39.72 6.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.793 HD11 ' CB ' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -44.28 127.22 5.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.263 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 78' ' ' PRO . 1.0 OUTLIER -153.14 146.76 25.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.964 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.721 HG22 ' HB2' ' A' ' 79' ' ' GLN . 10.5 p -56.34 -30.14 29.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 109.32 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.419 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 7.9 p-10 -112.01 44.21 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.607 1.192 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.2 125.06 44.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' ' 76' ' ' MET . 24.1 t-80 -63.38 -167.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 109.652 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.602 ' CD2' ' O ' ' A' ' 76' ' ' MET . 22.0 m-85 -130.64 -39.45 1.27 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.443 ' CG ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -98.0 -16.03 19.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.987 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.5 mttt -93.05 -76.2 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -78.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.1 mt -45.18 -53.85 7.64 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.451 1.094 . . . . 0.0 109.287 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.46 43.64 5.16 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.506 1.128 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.793 HD13 ' OD2' ' A' ' 51' ' ' ASP . 4.3 mt -93.54 162.79 13.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 0.772 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.06 172.56 8.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 52' ' ' GLN . 69.6 m -55.7 -41.91 74.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.2 mt -47.08 -40.75 15.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.408 1.068 . . . . 0.0 109.314 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.793 ' OD2' HD13 ' A' ' 47' ' ' LEU . 6.6 t70 -70.77 -32.4 69.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 49' ' ' SER . 3.3 tm0? -57.8 -59.7 4.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 98.7 t -51.41 -50.49 28.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.77 -60.01 4.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.357 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 1.038 HD11 HD11 ' A' ' 30' ' ' ILE . 20.6 mt -48.57 -39.75 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.539 HG22 ' OE2' ' A' ' 60' ' ' GLU . 19.8 mm -65.9 -60.34 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.276 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.46 -46.29 47.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 0.0 110.987 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -43.52 -44.61 6.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.299 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 15.7 mmt -72.12 -36.77 69.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.036 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.539 ' OE2' HG22 ' A' ' 56' ' ' ILE . 37.3 mt-10 -63.2 -23.16 67.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -96.54 -47.31 5.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -52.8 -40.01 62.85 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.465 1.103 . . . . 0.0 110.279 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.559 ' CD2' HD12 ' A' ' 85' ' ' ILE . 49.4 m-85 -103.14 -20.27 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 74.48 62.67 2.81 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CE1' ' HG3' ' A' ' 88' ' ' LYS . 13.3 m-85 -126.89 -178.93 4.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.754 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -131.65 81.03 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.581 1.176 . . . . 0.0 110.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.572 HG23 ' HB3' ' A' ' 71' ' ' ASP . 7.2 mt -89.05 115.86 64.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 122.832 1.301 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 -179.9 3.2 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.737 2.291 . . . . 0.0 112.319 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.36 -24.31 54.2 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.326 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -22.11 27.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.309 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.572 ' HB3' HG23 ' A' ' 67' ' ' ILE . 0.2 OUTLIER -98.84 -57.15 2.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -44.81 -42.91 8.26 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' O ' ' HE2' ' A' ' 76' ' ' MET . 23.2 pt-20 -58.61 -38.57 78.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.31 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -73.83 -20.85 60.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.344 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 72' ' ' ALA . 42.0 mt -83.45 123.92 30.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.602 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 20.0 mmt -126.01 -39.94 2.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.515 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -110.99 168.54 7.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.813 1.292 . . . . 0.0 108.223 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.515 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 54.0 Cg_endo -69.74 -35.06 13.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.655 2.237 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.721 ' HB2' HG22 ' A' ' 37' ' ' VAL . 33.6 tp60 -64.66 -37.04 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 110.326 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -54.87 -38.92 68.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.248 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 84' ' ' TYR . 15.1 mt -68.13 -51.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.355 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.723 ' CG2' HG21 ' A' ' 20' ' ' VAL . 91.5 t -44.47 -43.01 2.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 109.251 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.27 -44.97 80.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.483 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 11.4 t80 -65.86 -34.6 78.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.579 ' HB ' HG21 ' A' ' 16' ' ' ILE . 15.0 mm -70.26 -59.2 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.15 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.78 ' HB2' HD11 ' A' ' 13' ' ' LEU . . . -40.1 -48.4 2.48 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.506 1.129 . . . . 0.0 109.262 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -50.72 -52.38 40.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.486 ' HG3' ' CE1' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -54.16 -39.95 67.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 40.23 72.02 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 64.06 140.46 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.492 ' O ' ' C ' ' A' ' 92' ' ' TYR . 4.2 p -97.28 15.15 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.492 ' C ' ' O ' ' A' ' 91' ' ' VAL . 5.9 m-85 30.57 83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 111.017 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -177.45 121.84 0.12 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.449 1.093 . . . . 0.0 110.35 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.17 78.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.12 -163.24 11.23 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-O 122.783 1.213 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 -27.83 25.81 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.717 2.278 . . . . 0.0 112.332 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 5.4 m -143.73 142.9 31.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.0 p -94.69 132.81 39.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 -179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.49 -57.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 0.742 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -168.51 100.86 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.73 -95.03 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.49 1.119 . . . . 0.0 110.943 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 m 56.4 170.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 0.775 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.7 p -148.86 138.49 21.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.94 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.69 165.21 24.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.482 1.114 . . . . 0.0 110.917 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 88.55 30.64 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-O 122.847 1.308 . . . . 0.0 111.037 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.89 153.16 2.68 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.681 2.254 . . . . 0.0 112.403 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.43 ' C ' HD23 ' A' ' 11' ' ' LEU . 66.0 Cg_exo -48.05 173.77 0.03 OUTLIER 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.667 2.244 . . . . 0.0 112.328 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 10' ' ' PRO . 4.2 mt -102.78 107.0 17.71 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.438 1.086 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.1 p -141.81 174.29 10.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.102 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -41.27 -60.05 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.473 1.108 . . . . 0.0 109.237 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -43.54 -47.59 7.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.0 -40.36 88.76 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 13' ' ' LEU . 19.1 mt -59.44 -54.9 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.436 0.727 . . . . 0.0 109.219 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' VAL . 8.0 tt0 -52.52 -65.98 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.282 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -40.59 -45.97 2.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -61.72 -46.71 88.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.773 HG21 HG22 ' A' ' 82' ' ' VAL . 41.3 t -51.95 -37.09 20.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 21' ' ' LEU . 1.2 mt -81.62 -45.9 15.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.085 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -53.02 -51.08 62.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.993 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 53.4 t -63.92 -42.63 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.347 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.893 ' HB3' HD11 ' A' ' 35' ' ' LEU . 17.8 mt -63.38 -31.23 72.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HG3' HD13 ' A' ' 35' ' ' LEU . 1.9 mttp -68.85 -49.28 59.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 mt -42.3 -28.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.345 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' N ' ' C ' ' A' ' 25' ' ' LYS . 1.6 t80 -81.03 100.47 9.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.939 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -50.33 -38.12 40.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.354 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.9 OUTLIER -52.94 -35.16 58.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.775 HG12 HD11 ' A' ' 47' ' ' LEU . 50.3 mt -97.51 109.78 24.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.86 137.51 90.08 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.768 1.27 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.83 -47.11 0.97 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.637 2.225 . . . . 0.0 112.4 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -17.29 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.248 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -104.49 -35.42 7.89 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.893 HD11 ' HB3' ' A' ' 24' ' ' LEU . 1.1 tt -49.41 98.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -135.39 134.65 39.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.456 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.5 m -41.02 -50.05 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.9 p30 -86.08 44.94 1.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.393 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' SER . 0.9 OUTLIER -132.63 128.75 37.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 60.9 t-80 -78.36 165.07 24.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.592 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.697 ' HA ' HD12 ' A' ' 45' ' ' LEU . 61.0 m-85 -91.17 10.57 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 8.6 mtt -149.12 -51.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -40.06 -50.33 2.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.333 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.451 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 5.1 t0 -118.54 -60.66 1.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.697 HD12 ' HA ' ' A' ' 41' ' ' PHE . 44.7 mt -39.63 -56.82 1.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 80.01 73.78 1.13 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.477 1.111 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.775 HD11 HG12 ' A' ' 30' ' ' ILE . 12.5 mt -124.68 -176.01 3.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 51' ' ' ASP . 9.1 m-20 -123.47 154.1 39.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.6 p -46.58 -39.04 10.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 110.044 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.6 mt -53.0 -33.57 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' ASP . 39.0 m-20 -82.94 -23.41 33.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 0.0 109.299 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.1 tm0? -65.5 -36.83 85.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.9 t -67.72 -37.06 77.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.418 1.073 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.72 -57.19 5.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.352 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.748 HG23 HD21 ' A' ' 24' ' ' LEU . 5.9 mt -41.8 -53.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.45 HG13 ' HB1' ' A' ' 72' ' ' ALA . 20.0 mm -55.12 -56.31 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 mtm -44.91 -42.97 8.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.993 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -53.04 -44.81 67.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.575 ' HG3' HG21 ' A' ' 81' ' ' ILE . 15.9 mmt -73.76 -19.31 60.81 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.524 1.14 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -80.31 -22.72 41.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -97.77 -48.67 5.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.569 ' HG2' HG21 ' A' ' 23' ' ' VAL . 5.3 tp10 -52.08 -42.9 63.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.247 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.584 ' CZ ' HG23 ' A' ' 16' ' ' ILE . 62.9 m-85 -110.51 15.42 22.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 111.015 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 37.81 69.36 0.33 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.479 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 5.8 m-85 -127.62 179.48 5.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 111.022 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' A' ' 66' ' ' GLU . 5.6 pt-20 -136.5 92.62 2.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.514 HG12 ' CZ ' ' A' ' 84' ' ' TYR . 12.3 mt -102.94 119.38 55.69 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 122.867 1.318 . . . . 0.0 109.312 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 164.75 33.41 Favored 'Trans proline' 0 C--N 1.343 0.24 0 C-N-CA 122.691 2.26 . . . . 0.0 112.308 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.23 -24.42 67.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.414 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.03 -25.88 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' CB ' HG23 ' A' ' 67' ' ' ILE . 42.8 m-20 -97.06 -28.08 14.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.26 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -75.29 -37.51 60.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' O ' ' HE2' ' A' ' 76' ' ' MET . 16.6 pt-20 -61.37 -32.72 72.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.12 -24.02 51.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.541 HD23 ' HB3' ' A' ' 80' ' ' GLU . 29.0 mt -87.55 114.35 24.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.429 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 3.5 mmt -130.64 14.34 5.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -152.6 163.16 24.45 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 122.801 1.286 . . . . 0.0 108.335 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.456 ' HG2' ' HA ' ' A' ' 37' ' ' VAL . 53.6 Cg_endo -69.78 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.679 2.253 . . . . 0.0 112.301 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -55.6 -40.85 72.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.541 ' HB3' HD23 ' A' ' 75' ' ' LEU . 5.0 mt-10 -50.72 -39.81 52.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 110.295 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' A' ' 59' ' ' MET . 25.5 mt -68.41 -50.28 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.773 HG22 HG21 ' A' ' 20' ' ' VAL . 96.7 t -44.12 -45.89 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.3 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -56.02 -43.13 77.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.218 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.514 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 20.7 t80 -64.85 -31.67 73.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.468 ' HB ' HG21 ' A' ' 16' ' ' ILE . 4.7 mm -79.42 -63.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.442 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -39.85 -42.4 1.3 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -70.67 -47.65 58.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -50.91 -32.45 20.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.36 -51.59 19.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -57.12 172.79 0.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.2 m -91.86 30.57 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 4.2 m-30 -86.21 42.54 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -68.73 142.82 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.365 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.0 169.75 23.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.996 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -82.34 147.76 26.02 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-O 122.869 1.261 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 52.59 0.99 Allowed 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.653 2.235 . . . . 0.0 112.402 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.86 79.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.19 143.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 110.991 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 106.27 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 0.768 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -156.88 162.67 39.67 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.41 -175.15 21.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 62.31 132.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -157.65 91.66 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.047 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.07 -179.58 47.9 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.492 1.12 . . . . 0.0 111.032 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mtt -135.22 85.22 33.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-O 122.825 1.298 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -47.96 162.75 0.25 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.585 2.19 . . . . 0.0 112.402 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -47.92 166.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.635 2.223 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mt -95.53 93.41 7.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.296 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' GLY . 10.4 p -127.6 170.15 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.438 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.618 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -44.4 -46.48 9.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.49 1.119 . . . . 0.0 109.372 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.45 -37.5 57.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 12' ' ' THR . . . -79.3 -36.35 27.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.493 1.121 . . . . 0.0 111.031 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.672 HG21 ' HB ' ' A' ' 85' ' ' ILE . 39.6 mt -62.89 -50.55 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -55.02 -64.78 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.125 . . . . 0.0 110.326 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.36 -43.75 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.442 1.089 . . . . 0.0 109.185 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -64.44 -48.83 73.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.361 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG21 ' CG2' ' A' ' 82' ' ' VAL . 27.1 t -47.08 -36.48 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.567 1.167 . . . . 0.0 109.331 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.49 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.9 mt -85.28 -48.28 9.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.571 1.169 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -46.06 -51.65 13.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 111.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.825 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 97.5 t -62.9 -44.55 99.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.155 . . . . 0.0 109.342 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 20' ' ' VAL . 49.8 mt -61.31 -30.56 70.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' LEU . 28.0 mttt -73.51 -35.14 65.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.8 mt -57.76 -30.28 65.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.2 t80 -81.06 98.14 7.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 111.082 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -47.0 -40.83 15.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 109.287 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.98 -37.17 43.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.578 HD11 HD11 ' A' ' 55' ' ' ILE . 52.8 mt -89.31 138.88 18.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.137 . . . . 0.0 109.27 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.43 136.16 20.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 122.806 1.288 . . . . 0.0 109.335 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -47.57 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.279 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.04 -30.69 70.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -88.4 -35.28 17.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 109.279 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.49 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.7 tp -58.58 145.14 40.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 78' ' ' PRO . 0.2 OUTLIER -169.88 156.21 6.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.992 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.552 HG22 ' HB2' ' A' ' 79' ' ' GLN . 5.7 p -49.18 -23.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.548 HD22 HG13 ' A' ' 37' ' ' VAL . 1.5 p30 -126.58 59.82 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.5 p -124.18 93.53 3.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.584 1.178 . . . . 0.0 109.993 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.578 ' CE1' ' HB3' ' A' ' 42' ' ' MET . 5.5 t-80 -55.67 119.0 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.558 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.549 ' CE1' ' HD3' ' A' ' 78' ' ' PRO . 2.4 m-85 -70.57 -11.55 61.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.578 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 22.4 tpp -101.62 -32.96 10.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 111.008 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -100.79 -82.27 0.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -38.74 -68.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' CG ' ' HA ' ' A' ' 41' ' ' PHE . 16.8 mt -62.26 -57.41 11.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 96.57 23.99 14.87 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.507 1.129 . . . . 0.0 110.972 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 41' ' ' PHE . 5.5 mt -76.06 174.08 10.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.521 0.777 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -105.87 156.43 18.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.2 m -48.31 -41.58 28.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.2 mt -51.39 -30.82 20.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 55' ' ' ILE . 90.7 m-20 -88.96 -25.27 22.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.401 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 3.1 tm0? -66.92 -44.92 79.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.263 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.28 -40.9 79.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -58.28 8.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.641 ' O ' ' HB3' ' A' ' 58' ' ' ALA . 5.0 mt -43.04 -51.38 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.7 HG22 ' OE2' ' A' ' 60' ' ' GLU . 23.6 mm -55.45 -55.73 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.7 mmt -52.89 -25.56 12.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.825 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -67.25 -39.39 86.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.243 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.2 mmt -77.4 -27.05 52.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.7 ' OE2' HG22 ' A' ' 56' ' ' ILE . 33.6 mt-10 -71.73 -28.62 63.79 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.298 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -85.01 -43.51 13.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.367 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.47 ' CA ' ' OE1' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -57.91 -41.32 82.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 110.366 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 40.3 m-85 -104.91 0.73 28.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.458 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 52.83 45.83 60.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' O ' ' A' ' 63' ' ' PHE . 12.1 m-30 -102.93 -177.67 3.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 0.793 . . . . 0.0 110.999 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -128.94 84.31 2.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.23 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.43 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 48.0 mt -99.49 105.09 31.33 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.747 1.26 . . . . 0.0 109.35 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.4 Cg_endo -69.76 156.11 64.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.366 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.652 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 1.6 m-20 -52.31 -33.3 41.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 3.5 pt -60.35 -37.66 74.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -91.99 -12.66 32.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.652 ' HB3' ' HA ' ' A' ' 69' ' ' ASP . . . -85.61 -51.03 6.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.415 ' O ' ' CE ' ' A' ' 76' ' ' MET . 19.5 pt-20 -52.27 -26.6 12.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -78.54 -25.9 45.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 80' ' ' GLU . 27.7 mt -85.58 112.9 21.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.439 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 7.0 mmt -115.62 -23.53 8.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.994 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.85 163.31 33.87 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 122.707 1.241 . . . . 0.0 108.328 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.73 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.4 Cg_endo -69.8 -46.69 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.648 2.232 . . . . 0.0 112.382 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.552 ' HB2' HG22 ' A' ' 37' ' ' VAL . 4.3 tm0? -49.49 -42.67 44.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' HB3' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -53.07 -36.65 60.89 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.447 1.092 . . . . 0.0 110.332 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.73 HD12 ' HA ' ' A' ' 78' ' ' PRO . 17.7 mt -69.12 -46.25 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.715 ' CG2' HG21 ' A' ' 20' ' ' VAL . 97.4 t -53.31 -40.08 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -44.97 93.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.427 ' HB3' ' O ' ' A' ' 81' ' ' ILE . 5.3 t80 -60.2 -63.51 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 111.076 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.672 ' HB ' HG21 ' A' ' 16' ' ' ILE . 21.6 mm -40.11 -59.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 89' ' ' LYS . . . -52.11 -62.1 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -45.95 -31.87 2.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.588 ' HG2' ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -74.46 -41.18 61.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 109.308 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.9 OUTLIER 40.42 83.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.318 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -47.66 104.08 0.05 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.429 1.081 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 92' ' ' TYR . 3.3 p -112.29 15.2 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.475 ' C ' ' O ' ' A' ' 91' ' ' VAL . 5.5 m-85 30.76 85.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 111.044 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' HB2' HG13 ' A' ' 91' ' ' VAL . 3.0 tt0 -149.59 90.9 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.262 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 p 55.3 171.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 148.79 -165.08 29.2 Favored Glycine 0 CA--C 1.53 1.028 0 CA-C-O 122.769 1.205 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 169.63 18.41 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.668 2.245 . . . . 0.0 112.378 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.5 m -101.3 146.63 27.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.13 104.42 16.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 m 46.65 94.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 0.756 . . . . 0.0 109.938 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -59.96 167.09 2.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.97 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.84 94.36 0.15 Allowed Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.491 1.119 . . . . 0.0 111.04 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -61.99 -57.9 9.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 0.716 . . . . 0.0 110.041 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -147.99 147.59 29.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.008 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . -64.23 -143.92 0.02 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.572 1.17 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.501 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 164.81 -53.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 122.8 1.286 . . . . 0.0 110.986 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 64.5 Cg_exo -47.95 148.48 6.54 Favored 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.657 2.238 . . . . 0.0 112.351 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.412 ' C ' HD23 ' A' ' 11' ' ' LEU . 64.1 Cg_exo -47.96 176.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 10' ' ' PRO . 4.8 mt -102.93 111.82 24.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.9 p -137.54 174.36 10.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.397 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.557 ' CD1' ' HB1' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -49.09 -41.09 34.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.36 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.35 -36.64 71.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -81.8 -32.22 30.52 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.454 1.096 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.708 HG21 ' HB ' ' A' ' 85' ' ' ILE . 86.6 mt -63.94 -52.68 53.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.454 0.738 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 20' ' ' VAL . 4.1 tt0 -54.97 -65.79 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.316 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -40.34 -46.71 2.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 64.3 mmt-85 -60.38 -48.12 83.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.667 HG12 HD23 ' A' ' 21' ' ' LEU . 4.6 t -52.24 -52.23 26.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.667 HD23 HG12 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -65.78 -44.54 85.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.593 ' CE2' HD11 ' A' ' 26' ' ' LEU . 32.6 t80 -54.1 -58.91 5.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.593 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 54.3 t -51.92 -36.59 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' HB3' HG21 ' A' ' 30' ' ' ILE . 40.1 mt -69.69 -45.57 68.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.282 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.2 mtmt -63.43 -31.52 72.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 109.381 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.593 HD11 ' CE2' ' A' ' 22' ' ' TYR . 52.7 mt -65.99 -15.57 63.13 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.409 1.068 . . . . 0.0 109.264 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 29' ' ' LYS . 27.2 t80 -73.61 -12.36 60.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t70 66.62 -68.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -46.1 -31.77 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.402 1.064 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 55' ' ' ILE . 84.8 mt -84.68 102.85 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.3 135.48 88.93 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 122.8 1.286 . . . . 0.0 109.232 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -46.55 1.17 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.734 2.289 . . . . 0.0 112.275 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.57 -37.51 73.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.6 mttt -81.1 -40.91 23.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.435 1.084 . . . . 0.0 109.337 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.77 HD12 ' H ' ' A' ' 36' ' ' SER . 1.4 tp -54.02 153.63 4.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.77 ' H ' HD12 ' A' ' 35' ' ' LEU . 0.7 OUTLIER -179.13 142.9 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.435 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -39.92 -55.39 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.232 -179.922 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -86.84 45.56 1.27 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 36' ' ' SER . 15.9 p -118.86 133.23 55.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -85.54 156.91 20.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.729 ' HA ' HD12 ' A' ' 45' ' ' LEU . 64.7 m-85 -90.45 11.91 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 111.052 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 6.3 mtt -150.95 -46.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.105 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' CG ' ' N ' ' A' ' 44' ' ' ASP . 0.8 OUTLIER -49.45 -52.34 29.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.242 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' N ' ' CG ' ' A' ' 43' ' ' LYS . 0.8 OUTLIER -111.2 -64.74 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.165 . . . . 0.0 109.33 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.729 HD12 ' HA ' ' A' ' 41' ' ' PHE . 94.0 mt -39.56 -68.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 92.26 63.41 1.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.973 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.508 HD11 HG12 ' A' ' 30' ' ' ILE . 4.8 mt -117.99 157.58 26.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 0.793 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -89.48 163.08 15.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.3 OUTLIER -53.65 -48.29 69.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.968 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.5 mt -51.51 -22.2 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.372 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -89.5 -29.1 19.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 109.199 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 5.6 tm0? -75.75 -37.95 58.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.271 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 54' ' ' GLU . 6.7 p -64.88 -50.44 75.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.486 ' N ' HG13 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -60.6 -39.3 87.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.429 1.08 . . . . 0.0 110.211 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.55 HD11 HD11 ' A' ' 30' ' ' ILE . 25.8 mt -57.43 -63.33 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.774 HG22 ' OE2' ' A' ' 60' ' ' GLU . 39.2 mm -40.81 -50.0 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.337 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.37 79.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.593 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -48.09 -40.43 23.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.085 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.444 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 20.3 mmt -75.04 -35.04 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.989 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.903 ' HG3' HD12 ' A' ' 67' ' ' ILE . 26.4 mt-10 -64.3 -25.21 67.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -92.5 -50.22 5.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.476 ' HG2' ' CG2' ' A' ' 23' ' ' VAL . 2.2 tp10 -57.05 -26.54 60.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.639 ' CD2' HD12 ' A' ' 85' ' ' ILE . 27.1 m-85 -112.06 -20.88 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.166 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.417 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 71.2 69.27 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.505 1.128 . . . . 0.0 110.972 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CE1' ' HE3' ' A' ' 88' ' ' LYS . 15.1 m-85 -138.16 176.01 9.07 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.461 0.742 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -124.48 86.72 2.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.903 HD12 ' HG3' ' A' ' 60' ' ' GLU . 16.3 mt -93.58 112.92 58.74 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-O 122.766 1.269 . . . . 0.0 109.217 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 54.0 Cg_endo -69.81 159.8 52.03 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.681 2.254 . . . . 0.0 112.348 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -26.34 62.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.427 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.4 -25.52 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.439 1.087 . . . . 0.0 109.363 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.427 ' N ' HG13 ' A' ' 70' ' ' ILE . 19.1 m-20 -100.81 -50.83 3.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.557 1.16 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.636 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -49.19 -31.17 8.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 109.341 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.411 ' O ' ' HE2' ' A' ' 76' ' ' MET . 25.1 pt-20 -73.79 -37.98 64.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 -16.09 63.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.611 1.194 . . . . 0.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.45 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 32.3 mt -91.83 110.17 21.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.447 ' HE1' ' NE2' ' A' ' 52' ' ' GLN . 4.0 mmt -129.12 19.99 5.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.995 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -160.31 160.54 26.28 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 122.729 1.252 . . . . 0.0 108.332 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.435 ' HG2' ' HA ' ' A' ' 37' ' ' VAL . 53.2 Cg_endo -69.85 -48.87 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.651 2.234 . . . . 0.0 112.361 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -54.66 -43.88 72.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 110.306 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -51.04 -41.96 60.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.458 ' O ' ' N ' ' A' ' 84' ' ' TYR . 19.9 mt -66.32 -51.52 57.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.582 HG22 HG21 ' A' ' 20' ' ' VAL . 91.4 t -42.91 -44.87 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.448 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.15 -43.53 82.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.336 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.508 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 28.5 t80 -63.29 -29.04 70.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.708 ' HB ' HG21 ' A' ' 16' ' ' ILE . 5.9 mm -83.74 -62.48 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.557 ' HB1' ' CD1' ' A' ' 13' ' ' LEU . . . -40.12 -42.58 1.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.99 -50.37 68.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.544 ' HE3' ' CE1' ' A' ' 65' ' ' PHE . 5.6 mmtt -51.06 -36.21 38.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 40.53 81.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 109.241 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -54.46 137.25 43.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.23 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 91' ' ' VAL . 8.4 p -103.2 36.66 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.228 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.39 39.08 0.96 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 110.95 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 50.9 tt0 -132.03 -54.34 0.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 51.7 m -60.85 109.3 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.952 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 153.99 -95.8 0.16 Allowed Glycine 0 CA--C 1.53 1.0 0 CA-C-O 122.845 1.247 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.85 -48.99 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.635 2.223 . . . . 0.0 112.311 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 84.7 p -108.54 130.2 55.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.06 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.2 t 61.87 142.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.938 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.1 m 62.06 147.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 0.79 . . . . 0.0 110.01 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -137.4 95.24 3.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.024 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.12 142.19 13.29 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.412 1.07 . . . . 0.0 110.975 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.52 159.51 40.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.992 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 p -136.51 -63.42 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . 65.21 142.49 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.508 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.1 OUTLIER 165.07 -53.86 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 122.77 1.272 . . . . 0.0 111.03 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.508 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 64.0 Cg_exo -47.95 161.76 0.33 Allowed 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.661 2.24 . . . . 0.0 112.369 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_exo -48.02 165.88 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.281 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mt -90.59 98.55 11.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.259 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 p -135.66 173.25 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.465 1.103 . . . . 0.0 110.401 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -41.45 -57.74 2.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.328 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' LEU . 4.6 tt0 -38.9 -58.23 1.13 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -63.77 -46.32 92.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.571 1.169 . . . . 0.0 111.028 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.738 HG21 ' HB ' ' A' ' 85' ' ' ILE . 46.5 mt -51.48 -55.35 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 0.757 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' VAL . 10.1 tt0 -51.62 -68.74 0.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 17' ' ' GLN . 20.7 t0 -39.06 -45.58 1.27 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -62.6 -48.0 81.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 110.316 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.589 HG21 ' CG2' ' A' ' 82' ' ' VAL . 19.3 t -49.74 -30.1 5.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' HB3' HD21 ' A' ' 35' ' ' LEU . 1.4 mt -91.51 -40.78 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -54.25 -47.84 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.591 1.182 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.804 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 74.3 t -67.43 -44.4 86.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 109.289 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD21 HG23 ' A' ' 55' ' ' ILE . 61.7 mt -63.5 -26.01 68.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG3' ' CD2' ' A' ' 35' ' ' LEU . 15.2 mttt -78.68 -45.89 20.35 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 73.4 mt -49.78 -26.22 3.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -82.43 103.36 11.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.93 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -52.35 -36.4 53.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -33.85 60.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.84 HG12 HD11 ' A' ' 47' ' ' LEU . 66.0 mt -99.45 135.38 35.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.1 141.12 22.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 122.792 1.282 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -46.24 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.634 2.223 . . . . 0.0 112.353 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.1 -44.67 79.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.0 mtmm -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.569 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.2 tp -53.4 140.11 28.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -164.96 146.5 7.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.076 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.633 HG12 ' HB2' ' A' ' 79' ' ' GLN . 7.1 t -48.36 -41.08 10.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -108.11 53.23 0.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 98.4 p -115.46 162.48 17.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 110.041 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.54 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 15.0 t-80 -110.58 147.24 34.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.57 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.741 ' HA ' HD12 ' A' ' 45' ' ' LEU . 60.1 m-85 -86.75 8.64 21.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.91 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.54 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 30.3 mtt -140.65 -68.28 0.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.135 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 42' ' ' MET . 2.7 mmtt -40.25 -69.5 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.433 1.083 . . . . 0.0 109.293 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.83 -76.7 0.21 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.072 . . . . 0.0 109.318 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.741 HD12 ' HA ' ' A' ' 41' ' ' PHE . 88.1 mt -40.01 -75.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.71 50.36 1.4 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.84 HD11 HG12 ' A' ' 30' ' ' ILE . 15.5 mt -97.32 -172.95 2.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.419 0.717 . . . . 0.0 109.326 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -122.48 158.36 29.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.9 p -52.5 -43.44 65.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.98 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.0 mt -50.14 -30.55 11.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -85.49 -26.92 25.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 72' ' ' ALA . 8.7 tm0? -62.39 -38.39 89.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.295 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 45.6 t -67.54 -32.13 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.289 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.2 -53.67 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.742 HD11 HD11 ' A' ' 30' ' ' ILE . 7.9 mt -47.77 -60.84 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.437 HD11 ' HB2' ' A' ' 75' ' ' LEU . 16.2 mm -47.17 -63.24 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -45.79 -37.52 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.804 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -54.84 -43.52 73.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.439 ' HG3' HG21 ' A' ' 81' ' ' ILE . 21.2 mmt -69.82 -47.89 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.556 ' OE2' HD12 ' A' ' 67' ' ' ILE . 0.1 OUTLIER -53.65 -25.68 18.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 110.333 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -31.0 13.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -74.33 -28.39 61.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.523 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 53.1 m-85 -111.66 -28.74 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 87.77 56.09 2.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.516 1.135 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.523 ' CE2' ' HB3' ' A' ' 63' ' ' PHE . 27.5 m-85 -128.03 -171.7 2.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -140.5 91.59 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 110.323 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.556 HD12 ' OE2' ' A' ' 60' ' ' GLU . 62.3 mt -92.06 120.28 67.87 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 122.817 1.294 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 173.0 11.6 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.692 2.262 . . . . 0.0 112.389 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.74 -24.53 60.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -68.94 -24.42 28.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.82 -46.19 6.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.594 1.184 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.456 ' O ' ' NE2' ' A' ' 52' ' ' GLN . . . -52.99 -29.14 27.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.41 ' O ' ' HE2' ' A' ' 76' ' ' MET . 16.0 pt-20 -76.4 -35.45 58.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -12.53 60.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.442 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 28.4 mt -94.36 109.81 21.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.41 ' HE2' ' O ' ' A' ' 73' ' ' GLU . 10.5 mmt -130.04 14.03 5.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.9 158.6 31.75 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 122.763 1.268 . . . . 0.0 108.305 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.629 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.2 Cg_endo -69.8 -38.24 7.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.638 2.225 . . . . 0.0 112.329 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.633 ' HB2' HG12 ' A' ' 37' ' ' VAL . 12.8 tp60 -63.96 -33.77 76.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.418 ' HB3' HD23 ' A' ' 75' ' ' LEU . 3.0 mt-10 -63.22 -27.57 69.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 78' ' ' PRO . 15.4 mt -80.81 -49.5 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.269 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.589 ' CG2' HG21 ' A' ' 20' ' ' VAL . 87.2 t -44.93 -40.8 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.166 . . . . 0.0 109.32 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -61.01 -42.93 99.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.511 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 15.1 t80 -64.32 -36.57 84.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 111.02 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.738 ' HB ' HG21 ' A' ' 16' ' ' ILE . 19.5 mm -74.13 -55.18 13.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.455 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -49.91 -33.93 18.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -63.49 -38.58 91.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.274 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.546 ' O ' ' C ' ' A' ' 89' ' ' LYS . 5.5 mmtt -72.49 -27.74 62.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.285 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.546 ' C ' ' O ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER 27.07 47.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' LYS . 0.7 OUTLIER 65.85 96.99 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.537 ' O ' HG13 ' A' ' 91' ' ' VAL . 5.2 p -109.55 39.27 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.454 1.096 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -82.93 47.45 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -143.79 101.65 3.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.5 m -142.74 96.37 2.93 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.425 1.078 . . . . 0.0 110.052 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -125.59 -164.75 11.9 Favored Glycine 0 CA--C 1.531 1.04 0 CA-C-O 122.76 1.2 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 73.2 1.42 Allowed 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 89.5 p -84.66 128.92 34.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.022 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.85 83.21 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.411 1.069 . . . . 0.0 110.043 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.923 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -175.47 164.67 3.15 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 0.766 . . . . 0.0 109.953 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -142.07 152.41 43.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.956 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.94 -139.1 5.66 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.05 112.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 0.76 . . . . 0.0 109.987 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -149.73 164.6 34.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.992 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.424 ' O ' ' CB ' ' A' ' 8' ' ' MET . . . -137.14 -115.9 1.45 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.513 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER 165.95 -54.01 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 122.777 1.275 . . . . 0.0 111.038 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 64.6 Cg_exo -47.95 168.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.247 . . . . 0.0 112.359 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -47.95 179.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.326 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 mp -101.72 120.26 40.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.9 p -123.87 176.32 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 110.354 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.537 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -44.34 -60.27 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -42.41 -42.26 3.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.325 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.74 -44.36 32.08 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.66 HG21 ' HB ' ' A' ' 85' ' ' ILE . 19.8 mt -57.68 -53.67 41.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -51.64 -65.43 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.11 -43.67 2.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.431 ' NH1' ' OE2' ' A' ' 62' ' ' GLU . 23.6 mmt85 -66.33 -47.3 73.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.336 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.735 HG21 ' CG2' ' A' ' 82' ' ' VAL . 20.7 t -48.08 -38.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.9 OUTLIER -78.95 -46.95 17.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 109.353 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -51.08 -55.71 16.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.669 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 45.1 t -58.06 -49.44 81.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.833 ' CB ' HD11 ' A' ' 35' ' ' LEU . 49.5 mt -57.05 -40.61 77.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.267 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HG3' HD13 ' A' ' 35' ' ' LEU . 9.8 mttt -62.05 -51.38 68.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.569 1.168 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.1 mt -42.59 -37.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.32 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.536 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 4.5 t80 -73.76 99.21 3.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.94 -40.5 10.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.536 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -50.23 -37.73 36.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 55' ' ' ILE . 43.8 mt -94.79 107.54 19.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.43 140.23 78.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 122.829 1.3 . . . . 0.0 109.34 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -44.89 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.663 2.242 . . . . 0.0 112.4 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.49 -28.66 5.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mttm -96.82 -44.11 7.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.833 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -40.72 117.35 0.82 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.423 1.077 . . . . 0.0 109.384 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.95 148.12 22.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.983 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.644 HG12 ' HB2' ' A' ' 79' ' ' GLN . 10.5 t -42.98 -42.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -108.34 48.48 0.85 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.577 ' HB2' HD11 ' A' ' 45' ' ' LEU . 98.7 p -108.5 114.78 28.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.473 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 18.3 t-80 -73.2 137.58 45.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.592 1.183 . . . . 0.0 109.596 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.406 ' CZ ' ' HD3' ' A' ' 78' ' ' PRO . 21.4 m-85 -87.23 15.62 6.1 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.468 1.105 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.473 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 0.4 OUTLIER -138.72 -45.79 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.133 . . . . 0.0 110.936 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -75.65 -70.87 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.429 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 3.8 t0 -66.95 -89.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.577 HD11 ' HB2' ' A' ' 39' ' ' SER . 4.4 mp -38.83 -65.51 0.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.98 64.04 1.19 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.765 HD11 HG12 ' A' ' 30' ' ' ILE . 16.1 mt -105.81 179.0 4.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 0.799 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -110.04 176.67 4.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.432 ' O ' ' N ' ' A' ' 52' ' ' GLN . 2.0 p -66.7 -45.54 78.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 1.101 . . . . 0.0 110.045 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.635 ' O ' HG12 ' A' ' 53' ' ' VAL . 1.8 mt -52.93 -26.11 13.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.423 ' O ' HD12 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -83.2 -24.49 32.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.441 1.088 . . . . 0.0 109.391 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 35.3 tp60 -74.78 -38.12 62.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.635 HG12 ' O ' ' A' ' 50' ' ' LEU . 7.6 p -65.15 -30.06 49.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.3 -55.84 4.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.896 HD11 HD11 ' A' ' 30' ' ' ILE . 7.2 mt -43.08 -50.6 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.539 HG13 ' HB1' ' A' ' 72' ' ' ALA . 24.5 mm -55.56 -56.32 12.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.248 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.1 mmt -46.17 -37.79 7.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.669 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -61.2 -42.47 98.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 19.6 mmt -76.44 -23.45 53.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -74.62 -21.05 59.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -94.6 -50.87 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -56.91 -34.69 68.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 110.258 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.561 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 19.7 m-85 -106.06 -5.54 19.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.423 1.077 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 52.57 50.48 48.35 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 63' ' ' PHE . 9.5 m-85 -113.59 -177.84 3.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 111.033 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -134.09 83.0 2.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.568 HG12 ' CE1' ' A' ' 84' ' ' TYR . 10.5 mt -88.67 121.55 69.91 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-O 122.818 1.294 . . . . 0.0 109.252 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 173.92 10.23 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.653 2.235 . . . . 0.0 112.364 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -75.1 -24.38 58.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -67.14 -25.72 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.497 ' HB3' HG23 ' A' ' 67' ' ' ILE . 1.7 t70 -97.43 -50.14 4.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.363 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 56' ' ' ILE . . . -49.45 -34.44 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.65 -29.37 61.23 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.117 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -81.76 -17.48 47.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.461 ' O ' ' CE ' ' A' ' 76' ' ' MET . 23.8 mt -89.53 116.86 28.0 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 75' ' ' LEU . 10.1 mmt -134.62 15.41 3.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.439 1.087 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -156.22 158.97 31.76 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 122.809 1.29 . . . . 0.0 108.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.758 ' HA ' HD12 ' A' ' 81' ' ' ILE . 54.9 Cg_endo -69.66 -41.67 4.2 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.712 2.274 . . . . 0.0 112.415 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.644 ' HB2' HG12 ' A' ' 37' ' ' VAL . 33.8 tp60 -59.89 -36.96 78.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.452 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -59.7 -43.21 94.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 78' ' ' PRO . 7.1 mt -63.15 -54.33 34.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.735 ' CG2' HG21 ' A' ' 20' ' ' VAL . 86.4 t -42.98 -44.98 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -55.57 -44.33 76.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.347 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' HG12 ' A' ' 67' ' ' ILE . 34.4 t80 -65.49 -34.64 78.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.112 . . . . 0.0 111.021 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.66 ' HB ' HG21 ' A' ' 16' ' ' ILE . 17.0 mm -74.56 -63.25 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 89' ' ' LYS . . . -41.73 -47.62 4.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -44.52 -51.15 9.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.3 mmtp -55.59 -39.89 71.31 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' A' ' 86' ' ' ALA . 0.1 OUTLIER 40.06 38.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.57 ' HB3' ' CE1' ' A' ' 92' ' ' TYR . 0.4 OUTLIER 69.73 116.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 92' ' ' TYR . 3.8 p -93.26 15.8 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.341 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 90' ' ' ASP . 8.2 m-85 30.99 87.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 111.039 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -49.64 140.06 11.69 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.4 m -67.25 114.16 5.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.061 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.98 154.97 21.78 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-O 122.803 1.224 . . . . 0.0 111.061 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -29.84 23.53 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.706 2.271 . . . . 0.0 112.411 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.6 m -128.69 131.17 47.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 t -141.11 -58.58 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.536 1.148 . . . . 0.0 110.963 -179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -92.91 90.66 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 0.782 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.51 122.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.73 -166.31 27.59 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.543 1.152 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.3 t -160.3 171.87 18.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 0.761 . . . . 0.0 109.946 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.92 172.39 18.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.968 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.99 80.64 1.51 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.56 1.163 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.494 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -46.89 -53.33 27.04 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 122.748 1.261 . . . . 0.0 110.984 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.494 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 61.6 Cg_exo -47.82 158.23 0.83 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.639 2.226 . . . . 0.0 112.4 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -48.02 178.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.633 2.222 . . . . 0.0 112.374 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.1 mp -111.65 134.2 53.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.4 p -89.71 -179.18 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.389 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.719 ' HA ' HD12 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -50.02 -50.31 47.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.69 -41.87 7.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -75.35 -40.16 34.17 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 13' ' ' LEU . 27.1 mt -56.1 -55.37 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.736 . . . . 0.0 109.247 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -54.03 -64.27 0.88 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.308 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -41.92 -41.59 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -67.6 -49.13 64.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.725 HG21 ' CG2' ' A' ' 82' ' ' VAL . 3.7 t -47.21 -45.75 9.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.28 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.66 HD23 HG12 ' A' ' 20' ' ' VAL . 0.7 OUTLIER -72.08 -55.49 7.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 109.238 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -42.06 -55.55 3.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 111.027 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.67 ' HA ' HD12 ' A' ' 26' ' ' LEU . 15.6 t -55.68 -45.31 79.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.253 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.735 HD21 HG23 ' A' ' 55' ' ' ILE . 77.6 mt -62.49 -40.93 98.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HG3' HD13 ' A' ' 35' ' ' LEU . 15.8 mttt -55.55 -45.87 77.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 23' ' ' VAL . 30.8 mt -46.97 -29.72 2.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.556 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.5 t80 -80.32 100.53 8.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -47.12 -39.13 12.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.377 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.556 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -52.22 -36.87 53.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.464 ' CD1' HD22 ' A' ' 24' ' ' LEU . 71.6 mt -94.91 113.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.238 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.74 139.21 58.09 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-O 122.76 1.267 . . . . 0.0 109.35 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -44.55 2.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.44 -16.61 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -107.24 -41.58 5.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.352 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.707 HD11 ' HB2' ' A' ' 24' ' ' LEU . 1.4 tt -40.28 141.04 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.621 ' H ' HD23 ' A' ' 35' ' ' LEU . 1.4 p -169.2 141.94 2.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.14 . . . . 0.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.648 HG22 ' HB2' ' A' ' 79' ' ' GLN . 3.7 p -51.16 -20.28 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.416 1.073 . . . . 0.0 109.229 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 39' ' ' SER . 56.6 m-20 -95.9 -44.05 7.56 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.502 1.126 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.478 ' C ' ' O ' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -33.19 147.5 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.986 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 42' ' ' MET . 0.9 OUTLIER -112.24 137.7 49.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.775 ' HA ' HD12 ' A' ' 45' ' ' LEU . 6.2 m-30 -61.04 -12.99 13.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.582 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 2.0 mtt -126.49 -62.72 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 111.09 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.566 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 4.4 tttt -36.07 -76.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 109.23 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' LEU . 0.8 OUTLIER -77.21 -75.03 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 41' ' ' PHE . 84.7 mt -38.52 -74.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.44 57.46 1.27 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.544 1.152 . . . . 0.0 111.026 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.542 HD13 HD11 ' A' ' 55' ' ' ILE . 6.8 mt -101.51 163.97 12.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 0.78 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -89.11 148.8 23.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -45.88 -44.63 14.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mt -48.68 -37.96 19.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -83.1 -25.82 31.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.428 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 6.6 tm0? -63.77 -41.23 98.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.5 t -62.55 -41.1 90.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.98 -51.99 65.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.735 HG23 HD21 ' A' ' 24' ' ' LEU . 8.9 mt -45.7 -53.19 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.247 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.706 HG21 ' CB ' ' A' ' 72' ' ' ALA . 42.2 mm -57.57 -55.94 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.172 . . . . 0.0 109.371 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 mtt -41.62 -43.54 2.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.942 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.631 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -55.55 -49.42 72.72 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.375 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.4 mmt -65.36 -36.17 83.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.011 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.626 ' HG2' HD12 ' A' ' 67' ' ' ILE . 52.0 mt-10 -60.32 -34.7 74.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.563 1.164 . . . . 0.0 110.339 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -87.68 -35.99 17.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.57 ' HG3' HG21 ' A' ' 23' ' ' VAL . 1.3 tm-20 -53.55 -34.24 57.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.755 ' CD2' HD12 ' A' ' 85' ' ' ILE . 91.5 m-85 -115.94 -29.2 6.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.448 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 84.77 56.2 2.53 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 63' ' ' PHE . 18.0 m-30 -114.38 -5.21 12.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.429 0.723 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 65' ' ' PHE . 9.6 mt-10 37.56 36.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.626 HD12 ' HG2' ' A' ' 60' ' ' GLU . 4.6 mt -39.63 136.0 1.19 Allowed Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 122.739 1.257 . . . . 0.0 109.325 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.581 ' HD2' HG23 ' A' ' 67' ' ' ILE . 54.1 Cg_endo -69.7 -179.07 2.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.38 -24.71 31.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.412 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -64.22 -25.37 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 74' ' ' LYS . 3.0 m-20 -99.97 -52.65 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.483 1.115 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.706 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -47.61 -29.09 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -78.76 -35.23 44.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -70.08 -15.87 63.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.366 179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.55 HD13 HG12 ' A' ' 81' ' ' ILE . 25.8 mt -90.2 134.91 33.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.564 ' HB3' ' CE1' ' A' ' 40' ' ' HIS . 15.7 mmt -129.64 -41.86 1.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.507 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -108.04 168.59 7.67 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.845 1.307 . . . . 0.0 108.321 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HD2' ' CB ' ' A' ' 77' ' ' CYS . 53.8 Cg_endo -69.68 -30.62 22.36 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.648 ' HB2' HG22 ' A' ' 37' ' ' VAL . 61.6 tp60 -71.42 -33.28 69.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.216 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.494 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -56.02 -43.16 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.55 HG12 HD13 ' A' ' 75' ' ' LEU . 4.6 mt -64.17 -52.82 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.382 1.051 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.725 ' CG2' HG21 ' A' ' 20' ' ' VAL . 97.5 t -42.6 -46.11 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.25 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.19 -44.97 68.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.564 ' CE1' HG12 ' A' ' 67' ' ' ILE . 12.2 t80 -68.39 -34.54 76.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.003 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.755 HD12 ' CD2' ' A' ' 63' ' ' PHE . 11.5 mm -68.02 -63.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.411 ' HB1' HD11 ' A' ' 13' ' ' LEU . . . -42.76 -34.65 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -60.12 -48.9 79.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 85' ' ' ILE . 15.5 mmtt -56.37 -37.2 69.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -57.06 -47.82 80.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -124.52 100.67 6.77 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.364 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.555 ' O ' HG13 ' A' ' 91' ' ' VAL . 3.9 p -117.06 37.56 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.248 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.48 36.35 0.84 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 110.96 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -139.53 141.51 37.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.384 1.052 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.2 m -68.27 -54.91 14.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 81.55 149.92 7.4 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 122.739 1.188 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 79.02 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.669 2.246 . . . . 0.0 112.309 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.7 t -110.59 141.38 43.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 110.037 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -69.82 -60.26 2.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.442 1.089 . . . . 0.0 109.984 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.55 1.156 . . . . 0.0 111.03 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.71 99.95 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 109.969 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 p -172.61 80.22 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 110.012 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.27 124.25 4.54 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.537 1.148 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.21 143.75 12.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 0.749 . . . . 0.0 109.97 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.46 141.59 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.963 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.8 -72.64 0.47 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 mmt 38.21 66.99 2.28 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 122.841 1.305 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -48.02 168.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_exo -48.01 -179.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.707 2.271 . . . . 0.0 112.328 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mp -100.27 119.22 38.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.37 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -144.4 165.31 28.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.398 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.743 HD22 HD12 ' A' ' 16' ' ' ILE . 0.5 OUTLIER -47.03 -46.03 21.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -43.36 -29.23 0.41 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -77.32 -42.88 17.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.743 HD12 HD22 ' A' ' 13' ' ' LEU . 44.1 mt -57.51 -56.12 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -52.9 -66.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.38 -47.37 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.1 mmt-85 -60.22 -52.43 65.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 110.255 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.618 HG12 HD23 ' A' ' 21' ' ' LEU . 15.5 t -47.48 -57.05 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.433 1.083 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.966 ' HB3' HD21 ' A' ' 35' ' ' LEU . 0.6 OUTLIER -62.47 -51.6 66.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.612 1.195 . . . . 0.0 109.289 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -48.15 -48.7 34.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.958 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.645 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 40.6 t -64.53 -41.48 92.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.304 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.614 HD22 HD13 ' A' ' 30' ' ' ILE . 39.3 mt -64.17 -34.31 77.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HE3' HD23 ' A' ' 35' ' ' LEU . 4.2 mttp -64.42 -47.99 77.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.1 mt -47.51 -28.22 2.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.36 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.467 ' CE2' ' HB2' ' A' ' 29' ' ' LYS . 3.0 t80 -83.29 101.42 11.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.18 -38.66 12.27 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -51.67 -35.15 41.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.253 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.683 HD11 HD11 ' A' ' 55' ' ' ILE . 38.3 mt -97.66 133.35 39.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' O ' ' CB ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -98.14 142.01 23.88 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-O 122.737 1.256 . . . . 0.0 109.298 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -46.0 1.41 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.717 2.278 . . . . 0.0 112.389 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.9 -42.0 99.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -77.21 -31.4 55.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.365 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.966 HD21 ' HB3' ' A' ' 21' ' ' LEU . 2.2 tp -55.09 137.64 46.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.96 135.9 11.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 109.98 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.476 HG22 ' HB2' ' A' ' 79' ' ' GLN . 7.2 p -47.45 -26.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -122.85 53.87 1.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.99 132.43 52.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.059 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.515 ' CG ' ' HB2' ' A' ' 43' ' ' LYS . 43.7 t-80 -76.36 151.3 36.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.587 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.877 ' HA ' HD12 ' A' ' 45' ' ' LEU . 34.3 m-85 -87.66 2.24 51.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.438 ' HB2' ' CE1' ' A' ' 40' ' ' HIS . 54.8 mtt -139.67 -51.1 0.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 110.991 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.515 ' HB2' ' CG ' ' A' ' 40' ' ' HIS . 0.0 OUTLIER -44.39 -59.68 2.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.307 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.9 -66.66 0.89 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.506 1.129 . . . . 0.0 109.26 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 41' ' ' PHE . 90.9 mt -41.35 -83.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 111.42 54.58 0.51 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.417 1.073 . . . . 0.0 111.066 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 45' ' ' LEU . 0.6 OUTLIER -102.82 171.39 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.598 0.822 . . . . 0.0 109.308 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.428 ' O ' ' OD2' ' A' ' 51' ' ' ASP . 15.3 t70 -102.86 166.63 10.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.0 p -48.34 -38.49 19.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.095 . . . . 0.0 109.986 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' HA ' HG12 ' A' ' 53' ' ' VAL . 7.1 mt -54.66 -18.67 4.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.085 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.921 ' OD1' HD12 ' A' ' 55' ' ' ILE . 0.1 OUTLIER -78.23 -36.46 47.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.157 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' CG1' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -69.87 -47.49 62.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.264 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.501 ' O ' ' CG ' ' A' ' 57' ' ' MET . 7.9 p -60.2 -35.24 60.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -80.83 -51.26 8.81 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.536 1.148 . . . . 0.0 110.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.921 HD12 ' OD1' ' A' ' 51' ' ' ASP . 24.7 mt -48.75 -52.95 8.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.519 ' CG1' ' OE1' ' A' ' 52' ' ' GLN . 25.1 mm -63.66 -51.8 65.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.501 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 2.8 mmt -50.75 -22.81 2.29 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.645 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -76.23 -44.81 35.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.578 ' HG3' HG21 ' A' ' 81' ' ' ILE . 16.4 mmt -69.09 -24.38 64.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.148 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -73.48 -20.53 60.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.434 1.084 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -99.87 -45.52 5.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.42 -43.17 64.66 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.447 ' CD2' HD12 ' A' ' 85' ' ' ILE . 75.1 m-85 -112.55 15.56 20.07 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.607 1.192 . . . . 0.0 110.961 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 38.29 59.98 1.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -110.98 -176.93 3.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 0.738 . . . . 0.0 110.947 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -139.01 77.62 1.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.561 HG12 ' CE1' ' A' ' 84' ' ' TYR . 4.9 mt -93.06 125.71 53.84 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-O 122.821 1.296 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 166.78 26.52 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.28 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.424 ' HA ' ' HB3' ' A' ' 72' ' ' ALA . 0.5 OUTLIER -66.17 -24.35 66.63 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.425 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -71.63 -26.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.425 ' N ' HG13 ' A' ' 70' ' ' ILE . 89.1 m-20 -99.99 -18.75 16.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 56' ' ' ILE . . . -86.6 -50.6 6.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' O ' ' CE ' ' A' ' 76' ' ' MET . 7.2 pt-20 -57.95 -19.25 28.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.124 . . . . 0.0 110.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.56 29.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.725 HD23 ' HB3' ' A' ' 80' ' ' GLU . 35.2 mt -82.42 122.7 28.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.597 ' O ' ' CD2' ' A' ' 41' ' ' PHE . 15.5 mmt -134.9 8.28 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.424 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -150.0 164.36 21.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-O 122.752 1.263 . . . . 0.0 108.357 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.646 ' HA ' HD12 ' A' ' 81' ' ' ILE . 53.7 Cg_endo -69.78 -49.71 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.125 0 C-N-CA 122.653 2.235 . . . . 0.0 112.348 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.476 ' HB2' HG22 ' A' ' 37' ' ' VAL . 1.7 tp60 -58.79 -37.97 77.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.281 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.725 ' HB3' HD23 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -55.03 -24.0 22.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.285 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' A' ' 78' ' ' PRO . 9.7 mt -85.43 -47.28 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.49 HG22 HG22 ' A' ' 16' ' ' ILE . 83.1 t -46.83 -48.71 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.85 -42.62 65.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.561 ' CE1' HG12 ' A' ' 67' ' ' ILE . 6.2 t80 -67.74 -36.48 80.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 111.024 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.447 HD12 ' CD2' ' A' ' 63' ' ' PHE . 2.8 mm -73.89 -58.07 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.242 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.405 ' CB ' HD21 ' A' ' 13' ' ' LEU . . . -39.6 -53.01 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -57.54 -54.11 50.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -54.18 -20.67 7.21 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.504 1.127 . . . . 0.0 109.35 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -91.35 -39.38 12.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.11 -178.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.278 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 91' ' ' VAL . 4.0 p -108.11 37.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.346 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -128.76 -92.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 64.34 108.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.357 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -47.34 -60.95 2.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.975 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 139.65 155.01 6.47 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 122.792 1.218 . . . . 0.0 110.973 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -48.4 0.72 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.316 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.55 108.81 11.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.963 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.2 m -142.24 82.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.123 . . . . 0.0 109.973 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.483 1.114 . . . . 0.0 110.962 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 p -178.47 109.1 0.05 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 0.773 . . . . 0.0 109.972 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.66 107.76 0.24 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.27 -147.67 7.24 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.475 1.109 . . . . 0.0 111.018 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m 179.36 -68.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.572 0.807 . . . . 0.0 109.998 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.15 125.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 110.07 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.73 62.18 0.42 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.446 1.091 . . . . 0.0 110.979 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.499 ' CB ' ' HD3' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -71.69 -53.54 7.21 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-O 122.808 1.29 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.499 ' HD3' ' CB ' ' A' ' 8' ' ' MET . 64.7 Cg_exo -48.01 160.83 0.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.65 2.233 . . . . 0.0 112.354 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_exo -47.9 167.89 0.09 OUTLIER 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.662 2.241 . . . . 0.0 112.301 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 HD23 ' N ' ' A' ' 11' ' ' LEU . 4.0 mt -87.95 95.55 10.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.543 1.152 . . . . 0.0 109.334 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.4 p -123.36 169.39 11.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.395 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.526 HD11 ' CB ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -41.01 -56.62 2.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.098 . . . . 0.0 109.331 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -44.52 -46.53 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.86 -38.68 48.86 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.678 HG21 ' HB ' ' A' ' 85' ' ' ILE . 72.0 mt -58.21 -54.17 36.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.765 . . . . 0.0 109.245 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -54.22 -65.48 0.56 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.527 1.142 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -41.16 -45.5 2.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -61.65 -47.33 85.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG21 HG22 ' A' ' 82' ' ' VAL . 23.6 t -52.15 -39.97 28.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.5 HD23 ' N ' ' A' ' 21' ' ' LEU . 0.8 OUTLIER -78.49 -41.58 32.07 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.554 1.159 . . . . 0.0 109.35 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -58.7 -51.34 70.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.756 ' CG1' ' HB1' ' A' ' 58' ' ' ALA . 46.3 t -62.97 -44.27 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.776 ' CB ' HD11 ' A' ' 35' ' ' LEU . 63.0 mt -62.97 -29.2 70.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.444 1.09 . . . . 0.0 109.223 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.71 -43.57 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.6 mt -45.56 -36.37 4.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.438 1.086 . . . . 0.0 109.342 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.519 ' CD2' ' HB2' ' A' ' 29' ' ' LYS . 1.1 t80 -73.9 99.5 3.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -47.38 -38.32 12.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.339 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.519 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 6.5 mttt -53.29 -37.02 61.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.676 HD11 HD11 ' A' ' 55' ' ' ILE . 11.6 mt -91.58 106.32 17.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -67.85 136.21 92.26 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-O 122.827 1.299 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -48.38 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.733 2.288 . . . . 0.0 112.332 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.49 -18.57 11.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.236 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 mttm -101.71 -40.47 6.96 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.776 HD11 ' CB ' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -43.8 117.15 1.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 109.375 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' SER . 0.0 OUTLIER -155.39 135.8 13.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.458 ' HA ' ' HG2' ' A' ' 78' ' ' PRO . 2.6 m -40.93 -40.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -95.62 49.19 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 59.7 m -136.9 124.38 22.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.435 ' CG ' ' H ' ' A' ' 41' ' ' PHE . 16.8 t-80 -67.72 -170.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.644 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.565 ' HA ' HD12 ' A' ' 45' ' ' LEU . 22.9 m-85 -124.62 -34.52 2.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.38 -25.63 12.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.982 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -78.81 -78.37 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.637 1.21 . . . . 0.0 109.271 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.53 -78.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 41' ' ' PHE . 38.8 mt -41.46 -67.59 0.24 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 109.354 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 99.54 43.25 2.54 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 0.0 110.979 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.527 HD11 ' CG1' ' A' ' 30' ' ' ILE . 8.3 mt -86.97 168.37 13.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.343 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.96 171.5 9.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.577 1.173 . . . . 0.0 109.286 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 52' ' ' GLN . 3.3 m -67.4 -46.37 73.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.86 ' O ' HG12 ' A' ' 53' ' ' VAL . 3.0 mt -52.42 -27.72 17.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -81.41 -25.07 36.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 75' ' ' LEU . 7.5 tm0? -73.18 -27.31 61.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.277 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.86 HG12 ' O ' ' A' ' 50' ' ' LEU . 9.3 p -77.4 -27.69 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.28 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.2 -49.26 14.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.676 HD11 HD11 ' A' ' 30' ' ' ILE . 12.8 mt -47.59 -53.91 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 9.0 mm -49.98 -61.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.348 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.6 mmt -44.2 -45.89 8.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.95 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.756 ' HB1' ' CG1' ' A' ' 23' ' ' VAL . . . -46.45 -41.66 14.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.25 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.1 mmt -70.92 -49.76 42.19 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.472 1.107 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.486 ' CD ' HD12 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -56.24 -24.42 42.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.297 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -89.51 -39.32 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.463 ' HG3' ' CG2' ' A' ' 23' ' ' VAL . 8.5 tm-20 -70.75 -24.59 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.6 1.187 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.559 ' HB3' ' CE2' ' A' ' 65' ' ' PHE . 57.2 m-85 -111.57 -30.01 7.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.032 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 60' ' ' GLU . . . 87.29 32.08 14.93 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.632 ' HE2' HG23 ' A' ' 85' ' ' ILE . 19.1 m-85 -100.17 -173.53 2.45 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 0.767 . . . . 0.0 110.975 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -142.3 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 84' ' ' TYR . 47.3 mt -93.85 116.7 66.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 122.859 1.314 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 67' ' ' ILE . 53.9 Cg_endo -69.75 159.53 53.06 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -57.35 -24.61 56.26 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.4 1.062 . . . . 0.0 109.222 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.422 HG13 ' N ' ' A' ' 71' ' ' ASP . 0.6 OUTLIER -72.14 -25.29 23.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.387 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.422 ' N ' HG13 ' A' ' 70' ' ' ILE . 80.9 m-20 -101.15 -31.83 10.85 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.49 1.119 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.456 ' HA ' HD12 ' A' ' 75' ' ' LEU . . . -67.93 -31.06 70.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.456 1.097 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -72.39 -33.27 67.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.25 -11.53 60.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 109.326 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 72' ' ' ALA . 16.5 mt -98.51 119.26 36.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.345 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.8 mmt -130.6 4.84 4.65 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.546 1.154 . . . . 0.0 110.979 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.415 ' CB ' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -149.16 164.75 19.8 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-O 122.82 1.295 . . . . 0.0 108.265 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.556 ' HD3' ' CZ ' ' A' ' 41' ' ' PHE . 53.7 Cg_endo -69.85 -50.18 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.667 2.244 . . . . 0.0 112.345 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.6 tp60 -56.61 -43.62 80.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 110.286 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.12 -31.29 18.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.268 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.436 ' O ' ' N ' ' A' ' 84' ' ' TYR . 21.9 mt -77.96 -49.59 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.715 HG22 HG21 ' A' ' 20' ' ' VAL . 85.8 t -44.82 -40.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.266 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -43.27 94.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.565 ' CE1' HG12 ' A' ' 67' ' ' ILE . 28.3 t80 -63.83 -29.07 70.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.157 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.678 ' HB ' HG21 ' A' ' 16' ' ' ILE . 9.6 mm -80.62 -60.91 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.526 ' CB ' HD11 ' A' ' 13' ' ' LEU . . . -40.13 -47.36 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.226 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -57.45 -50.21 73.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -51.62 -37.5 50.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 43.14 79.86 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -45.6 134.19 7.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 109.327 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 3.1 m -91.9 30.53 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -84.92 44.67 1.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.577 1.173 . . . . 0.0 110.968 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -168.76 150.83 4.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.459 1.099 . . . . 0.0 110.28 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 46.1 p -154.8 129.01 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.434 1.083 . . . . 0.0 110.016 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 133.11 155.93 7.94 Favored Glycine 0 CA--C 1.531 1.036 0 CA-C-O 122.725 1.181 . . . . 0.0 111.049 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 106.62 1.68 Allowed 'Trans proline' 0 N--CA 1.466 -0.099 0 C-N-CA 122.763 2.308 . . . . 0.0 112.309 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 85.3 p 47.44 85.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.963 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m 43.21 85.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.965 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.957 . . . . . . . . 0 0 . 1 stop_ save_